propyl 4-[3-(3-nitrophenyl)prop-2-enoylcarbamothioylamino]benzoate

Systemtic Name: propyl 4-[3-(3-nitrophenyl)prop-2-enoylcarbamothioylamino]benzoate Openeye Name: propyl 4-[3-(3-nitrophenyl)prop-2-enoylcarbamothioylamino]benzoate CAS Name: 4-[[[[3-(3-nitrophenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]benzoic acid propyl ester IUPAC Name: propyl 4-[3-(3-nitrophenyl)prop-2-enoylcarbamothioylamino]benzoate Traditional Name: 4-[[3-(3-nitrophenyl)acryloyl]thiocarbamoylamino]benzoic acid propyl ester Formula: C20H19N3O5S MolecularWeight: 413.44696

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C=CC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C=CC2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H19N3O5S/c1-2-12-28-19(25)15-7-9-16(10-8-15)21-20(29)22-18(24)11-6-14-4-3-5-17(13-14)23(26)27/h3-11,13H,2,12H2,1H3,(H2,21,22,24,29)