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

Systemtic Name: 3-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]carbamothioylamino]-N,N-dipropyl-benzamide Openeye Name: 3-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]carbamothioylamino]-N,N-dipropyl-benzamide CAS Name: 3-[[[[(E)-3-(4-chlorophenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]-N,N-dipropylbenzamide IUPAC Name: 3-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]carbamothioylamino]-N,N-dipropylbenzamide Traditional Name: 3-[[(E)-3-(4-chlorophenyl)acryloyl]thiocarbamoylamino]-N,N-dipropyl-benzamide Formula: C23H26ClN3O2S MolecularWeight: 443.98944

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)C(=O)C1=CC(=CC=C1)NC(=S)NC(=O)C=CC2=CC=C(C=C2)Cl

Isomeric SMILES

CCCN(CCC)C(=O)C1=CC(=CC=C1)NC(=S)NC(=O)/C=C/C2=CC=C(C=C2)Cl

InChI

InChI=1S/C23H26ClN3O2S/c1-3-14-27(15-4-2)22(29)18-6-5-7-20(16-18)25-23(30)26-21(28)13-10-17-8-11-19(24)12-9-17/h5-13,16H,3-4,14-15H2,1-2H3,(H2,25,26,28,30)/b13-10+