tert-butyl 2-[4-[(5-carbamothioyl-1H-indol-2-yl)carbonylamino]butanoylamino]ethanoate

Systemtic Name: tert-butyl 2-[4-[(5-carbamothioyl-1H-indol-2-yl)carbonylamino]butanoylamino]ethanoate Openeye Name: tert-butyl 2-[4-[(5-carbamothioyl-1H-indole-2-carbonyl)amino]butanoylamino]acetate CAS Name: 2-[[4-[[(5-carbamothioyl-1H-indol-2-yl)-oxomethyl]amino]-1-oxobutyl]amino]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-[(5-carbamothioyl-1H-indole-2-carbonyl)amino]butanoylamino]acetate Traditional Name: 2-[4-[(5-thiocarbamoyl-1H-indole-2-carbonyl)amino]butanoylamino]acetic acid tert-butyl ester Formula: C20H26N4O4S MolecularWeight: 418.50984

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N4O4S/c1-20(2,3)28-17(26)11-23-16(25)5-4-8-22-19(27)15-10-13-9-12(18(21)29)6-7-14(13)24-15/h6-7,9-10,24H,4-5,8,11H2,1-3H3,(H2,21,29)(H,22,27)(H,23,25)