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

Systemtic Name: tert-butyl 7-[[5-carbamothioyl-1-(phenylmethyl)indol-2-yl]carbonylamino]heptanoate Openeye Name: tert-butyl 7-[(1-benzyl-5-carbamothioyl-indole-2-carbonyl)amino]heptanoate CAS Name: 7-[[[5-carbamothioyl-1-(phenylmethyl)-2-indolyl]-oxomethyl]amino]heptanoic acid tert-butyl ester IUPAC Name: tert-butyl 7-[(1-benzyl-5-carbamothioylindole-2-carbonyl)amino]heptanoate Traditional Name: 7-[(1-benzyl-5-thiocarbamoyl-indole-2-carbonyl)amino]enanthic acid tert-butyl ester Formula: C28H35N3O3S MolecularWeight: 493.6608

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CCCCCCNC(=O)C1=CC2=C(N1CC3=CC=CC=C3)C=CC(=C2)C(=S)N

Isomeric SMILES

CC(C)(C)OC(=O)CCCCCCNC(=O)C1=CC2=C(N1CC3=CC=CC=C3)C=CC(=C2)C(=S)N

InChI

InChI=1S/C28H35N3O3S/c1-28(2,3)34-25(32)13-9-4-5-10-16-30-27(33)24-18-22-17-21(26(29)35)14-15-23(22)31(24)19-20-11-7-6-8-12-20/h6-8,11-12,14-15,17-18H,4-5,9-10,13,16,19H2,1-3H3,(H2,29,35)(H,30,33)