3-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]carbamothioyl-(phenylmethyl)amino]propanamide

Systemtic Name: 3-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]carbamothioyl-(phenylmethyl)amino]propanamide Openeye Name: 3-[benzyl-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]carbamothioyl]amino]propanamide CAS Name: 3-[[[[(E)-3-(4-nitrophenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]-(phenylmethyl)amino]propanamide IUPAC Name: 3-[benzyl-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]carbamothioyl]amino]propanamide Traditional Name: 3-[benzyl-[[(E)-3-(4-nitrophenyl)acryloyl]thiocarbamoyl]amino]propionamide Formula: C20H20N4O4S MolecularWeight: 412.4622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N4O4S/c21-18(25)12-13-23(14-16-4-2-1-3-5-16)20(29)22-19(26)11-8-15-6-9-17(10-7-15)24(27)28/h1-11H,12-14H2,(H2,21,25)(H,22,26,29)/b11-8+