N-(cyanomethyl)-3-(1H-indol-3-yl)-2-[(4-nitrophenyl)carbamothioylamino]propanamide

Systemtic Name: N-(cyanomethyl)-3-(1H-indol-3-yl)-2-[(4-nitrophenyl)carbamothioylamino]propanamide Openeye Name: N-(cyanomethyl)-3-(1H-indol-3-yl)-2-[(4-nitrophenyl)carbamothioylamino]propanamide CAS Name: N-(cyanomethyl)-3-(1H-indol-3-yl)-2-[[(4-nitroanilino)-sulfanylidenemethyl]amino]propanamide IUPAC Name: N-(cyanomethyl)-3-(1H-indol-3-yl)-2-[(4-nitrophenyl)carbamothioylamino]propanamide Traditional Name: N-(cyanomethyl)-3-(1H-indol-3-yl)-2-[(4-nitrophenyl)thiocarbamoylamino]propionamide Formula: C20H18N6O3S MolecularWeight: 422.46032

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)NCC#N)NC(=S)NC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)NCC#N)NC(=S)NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H18N6O3S/c21-9-10-22-19(27)18(11-13-12-23-17-4-2-1-3-16(13)17)25-20(30)24-14-5-7-15(8-6-14)26(28)29/h1-8,12,18,23H,10-11H2,(H,22,27)(H2,24,25,30)