tert-butyl 3-[3-[(5-carbamothioyl-1H-indol-2-yl)carbonylamino]propanoylamino]propanoate

Systemtic Name: tert-butyl 3-[3-[(5-carbamothioyl-1H-indol-2-yl)carbonylamino]propanoylamino]propanoate Openeye Name: tert-butyl 3-[3-[(5-carbamothioyl-1H-indole-2-carbonyl)amino]propanoylamino]propanoate CAS Name: 3-[[3-[[(5-carbamothioyl-1H-indol-2-yl)-oxomethyl]amino]-1-oxopropyl]amino]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[3-[(5-carbamothioyl-1H-indole-2-carbonyl)amino]propanoylamino]propanoate Traditional Name: 3-[3-[(5-thiocarbamoyl-1H-indole-2-carbonyl)amino]propanoylamino]propionic acid tert-butyl ester Formula: C20H26N4O4S MolecularWeight: 418.50984

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N4O4S/c1-20(2,3)28-17(26)7-9-22-16(25)6-8-23-19(27)15-11-13-10-12(18(21)29)4-5-14(13)24-15/h4-5,10-11,24H,6-9H2,1-3H3,(H2,21,29)(H,22,25)(H,23,27)