pyridin-3-ylmethyl N-[2-azanyl-1-[4-[(2-azanyl-5-thiophen-2-yl-phenyl)carbamoyl]phenyl]-2-oxidanylidene-ethyl]carbamate

Systemtic Name: pyridin-3-ylmethyl N-[2-azanyl-1-[4-[(2-azanyl-5-thiophen-2-yl-phenyl)carbamoyl]phenyl]-2-oxidanylidene-ethyl]carbamate Openeye Name: 3-pyridylmethyl N-[2-amino-1-[4-[[2-amino-5-(2-thienyl)phenyl]carbamoyl]phenyl]-2-oxo-ethyl]carbamate CAS Name: N-[2-amino-1-[4-[(2-amino-5-thiophen-2-ylanilino)-oxomethyl]phenyl]-2-oxoethyl]carbamic acid 3-pyridinylmethyl ester IUPAC Name: pyridin-3-ylmethyl N-[2-amino-1-[4-[(2-amino-5-thiophen-2-ylphenyl)carbamoyl]phenyl]-2-oxoethyl]carbamate Traditional Name: N-[2-amino-1-[4-[[2-amino-5-(2-thienyl)phenyl]carbamoyl]phenyl]-2-keto-ethyl]carbamic acid 3-pyridylmethyl ester Formula: C26H23N5O4S MolecularWeight: 501.55692

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)COC(=O)NC(C2=CC=C(C=C2)C(=O)NC3=C(C=CC(=C3)C4=CC=CS4)N)C(=O)N

Isomeric SMILES

C1=CC(=CN=C1)COC(=O)NC(C2=CC=C(C=C2)C(=O)NC3=C(C=CC(=C3)C4=CC=CS4)N)C(=O)N

InChI

InChI=1S/C26H23N5O4S/c27-20-10-9-19(22-4-2-12-36-22)13-21(20)30-25(33)18-7-5-17(6-8-18)23(24(28)32)31-26(34)35-15-16-3-1-11-29-14-16/h1-14,23H,15,27H2,(H2,28,32)(H,30,33)(H,31,34)