propan-2-yl 4-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioylamino]benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)OC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)/C=C/C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H19N3O5S/c1-13(2)28-19(25)15-7-9-16(10-8-15)21-20(29)22-18(24)11-6-14-4-3-5-17(12-14)23(26)27/h3-13H,1-2H3,(H2,21,22,24,29)/b11-6+