3-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioylamino]-N-propyl-benzamide

Systemtic Name: 3-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioylamino]-N-propyl-benzamide Openeye Name: 3-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioylamino]-N-propyl-benzamide CAS Name: 3-[[[[(E)-3-(3-nitrophenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]-N-propylbenzamide IUPAC Name: 3-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioylamino]-N-propylbenzamide Traditional Name: 3-[[(E)-3-(3-nitrophenyl)acryloyl]thiocarbamoylamino]-N-propyl-benzamide Formula: C20H20N4O4S MolecularWeight: 412.4622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N4O4S/c1-2-11-21-19(26)15-6-4-7-16(13-15)22-20(29)23-18(25)10-9-14-5-3-8-17(12-14)24(27)28/h3-10,12-13H,2,11H2,1H3,(H,21,26)(H2,22,23,25,29)/b10-9+