4-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioylamino]-N,N-dipropyl-benzamide

Systemtic Name: 4-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioylamino]-N,N-dipropyl-benzamide Openeye Name: 4-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioylamino]-N,N-dipropyl-benzamide CAS Name: 4-[[[[(E)-3-(3-nitrophenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]-N,N-dipropylbenzamide IUPAC Name: 4-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioylamino]-N,N-dipropylbenzamide Traditional Name: 4-[[(E)-3-(3-nitrophenyl)acryloyl]thiocarbamoylamino]-N,N-dipropyl-benzamide Formula: C23H26N4O4S MolecularWeight: 454.54194

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N4O4S/c1-3-14-26(15-4-2)22(29)18-9-11-19(12-10-18)24-23(32)25-21(28)13-8-17-6-5-7-20(16-17)27(30)31/h5-13,16H,3-4,14-15H2,1-2H3,(H2,24,25,28,32)/b13-8+