tert-butyl N-[(2R)-1-[(4-ethylphenyl)methylamino]-3-(1H-indol-3-yl)-1-sulfanylidene-propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2R)-1-[(4-ethylphenyl)methylamino]-3-(1H-indol-3-yl)-1-sulfanylidene-propan-2-yl]carbamate Openeye Name: tert-butyl N-[(1R)-2-[(4-ethylphenyl)methylamino]-1-(1H-indol-3-ylmethyl)-2-thioxo-ethyl]carbamate CAS Name: N-[(2R)-1-[(4-ethylphenyl)methylamino]-3-(1H-indol-3-yl)-1-sulfanylidenepropan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2R)-1-[(4-ethylphenyl)methylamino]-3-(1H-indol-3-yl)-1-sulfanylidenepropan-2-yl]carbamate Traditional Name: N-[(1R)-2-[(4-ethylbenzyl)amino]-1-(1H-indol-3-ylmethyl)-2-thioxo-ethyl]carbamic acid tert-butyl ester Formula: C25H31N3O2S MolecularWeight: 437.59754

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CNC(=S)C(CC2=CNC3=CC=CC=C32)NC(=O)OC(C)(C)C

Isomeric SMILES

CCC1=CC=C(C=C1)CNC(=S)[C@@H](CC2=CNC3=CC=CC=C32)NC(=O)OC(C)(C)C

InChI

InChI=1S/C25H31N3O2S/c1-5-17-10-12-18(13-11-17)15-27-23(31)22(28-24(29)30-25(2,3)4)14-19-16-26-21-9-7-6-8-20(19)21/h6-13,16,22,26H,5,14-15H2,1-4H3,(H,27,31)(H,28,29)/t22-/m1/s1