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

Systemtic Name: ethyl 7-[(5-carbamothioyl-1H-indol-2-yl)carbonylamino]-2-methyl-heptanoate Openeye Name: ethyl 7-[(5-carbamothioyl-1H-indole-2-carbonyl)amino]-2-methyl-heptanoate CAS Name: 7-[[(5-carbamothioyl-1H-indol-2-yl)-oxomethyl]amino]-2-methylheptanoic acid ethyl ester IUPAC Name: ethyl 7-[(5-carbamothioyl-1H-indole-2-carbonyl)amino]-2-methylheptanoate Traditional Name: 2-methyl-7-[(5-thiocarbamoyl-1H-indole-2-carbonyl)amino]enanthic acid ethyl ester Formula: C20H27N3O3S MolecularWeight: 389.51168

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)CCCCCNC(=O)C1=CC2=C(N1)C=CC(=C2)C(=S)N

Isomeric SMILES

CCOC(=O)C(C)CCCCCNC(=O)C1=CC2=C(N1)C=CC(=C2)C(=S)N

InChI

InChI=1S/C20H27N3O3S/c1-3-26-20(25)13(2)7-5-4-6-10-22-19(24)17-12-15-11-14(18(21)27)8-9-16(15)23-17/h8-9,11-13,23H,3-7,10H2,1-2H3,(H2,21,27)(H,22,24)