tert-butyl 7-[(5-carbamothioyl-1H-indol-2-yl)carbonylamino]-3-phenyl-heptanoate

Systemtic Name: tert-butyl 7-[(5-carbamothioyl-1H-indol-2-yl)carbonylamino]-3-phenyl-heptanoate Openeye Name: tert-butyl 7-[(5-carbamothioyl-1H-indole-2-carbonyl)amino]-3-phenyl-heptanoate CAS Name: 7-[[(5-carbamothioyl-1H-indol-2-yl)-oxomethyl]amino]-3-phenylheptanoic acid tert-butyl ester IUPAC Name: tert-butyl 7-[(5-carbamothioyl-1H-indole-2-carbonyl)amino]-3-phenylheptanoate Traditional Name: 3-phenyl-7-[(5-thiocarbamoyl-1H-indole-2-carbonyl)amino]enanthic acid tert-butyl ester Formula: C27H33N3O3S MolecularWeight: 479.63422

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CC(CCCCNC(=O)C1=CC2=C(N1)C=CC(=C2)C(=S)N)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)CC(CCCCNC(=O)C1=CC2=C(N1)C=CC(=C2)C(=S)N)C3=CC=CC=C3

InChI

InChI=1S/C27H33N3O3S/c1-27(2,3)33-24(31)17-19(18-9-5-4-6-10-18)11-7-8-14-29-26(32)23-16-21-15-20(25(28)34)12-13-22(21)30-23/h4-6,9-10,12-13,15-16,19,30H,7-8,11,14,17H2,1-3H3,(H2,28,34)(H,29,32)