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

Systemtic Name: tert-butyl 7-[(5-carbamothioyl-1H-indol-2-yl)carbonylamino]-3-methyl-heptanoate Openeye Name: tert-butyl 7-[(5-carbamothioyl-1H-indole-2-carbonyl)amino]-3-methyl-heptanoate CAS Name: 7-[[(5-carbamothioyl-1H-indol-2-yl)-oxomethyl]amino]-3-methylheptanoic acid tert-butyl ester IUPAC Name: tert-butyl 7-[(5-carbamothioyl-1H-indole-2-carbonyl)amino]-3-methylheptanoate Traditional Name: 3-methyl-7-[(5-thiocarbamoyl-1H-indole-2-carbonyl)amino]enanthic acid tert-butyl ester Formula: C22H31N3O3S MolecularWeight: 417.56484

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31N3O3S/c1-14(11-19(26)28-22(2,3)4)7-5-6-10-24-21(27)18-13-16-12-15(20(23)29)8-9-17(16)25-18/h8-9,12-14,25H,5-7,10-11H2,1-4H3,(H2,23,29)(H,24,27)