(phenylmethyl) N-[1-[[2-[(2-aminophenyl)carbamoyl]-1-benzothiophen-6-yl]methylamino]-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[1-[[2-[(2-aminophenyl)carbamoyl]-1-benzothiophen-6-yl]methylamino]-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]carbamate Openeye Name: benzyl N-[2-[[2-[(2-aminophenyl)carbamoyl]benzothiophen-6-yl]methylamino]-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]carbamate CAS Name: N-[1-[[2-[(2-aminoanilino)-oxomethyl]-1-benzothiophen-6-yl]methylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[1-[[2-[(2-aminophenyl)carbamoyl]-1-benzothiophen-6-yl]methylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate Traditional Name: N-[2-[[2-[(2-aminophenyl)carbamoyl]benzothiophen-6-yl]methylamino]-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]carbamic acid benzyl ester Formula: C35H31N5O4S MolecularWeight: 617.71674

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)NCC4=CC5=C(C=C4)C=C(S5)C(=O)NC6=CC=CC=C6N

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)NCC4=CC5=C(C=C4)C=C(S5)C(=O)NC6=CC=CC=C6N

InChI

InChI=1S/C35H31N5O4S/c36-27-11-5-7-13-29(27)39-34(42)32-18-24-15-14-23(16-31(24)45-32)19-38-33(41)30(17-25-20-37-28-12-6-4-10-26(25)28)40-35(43)44-21-22-8-2-1-3-9-22/h1-16,18,20,30,37H,17,19,21,36H2,(H,38,41)(H,39,42)(H,40,43)