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

Systemtic Name: 2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]carbamothioylamino]-N-(3-methoxypropyl)benzamide Openeye Name: 2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]carbamothioylamino]-N-(3-methoxypropyl)benzamide CAS Name: 2-[[[[(E)-3-(4-chlorophenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]-N-(3-methoxypropyl)benzamide IUPAC Name: 2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]carbamothioylamino]-N-(3-methoxypropyl)benzamide Traditional Name: 2-[[(E)-3-(4-chlorophenyl)acryloyl]thiocarbamoylamino]-N-(3-methoxypropyl)benzamide Formula: C21H22ClN3O3S MolecularWeight: 431.93568

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Descriptors Computed from Structure

Canonical SMILES:

COCCCNC(=O)C1=CC=CC=C1NC(=S)NC(=O)C=CC2=CC=C(C=C2)Cl

Isomeric SMILES

COCCCNC(=O)C1=CC=CC=C1NC(=S)NC(=O)/C=C/C2=CC=C(C=C2)Cl

InChI

InChI=1S/C21H22ClN3O3S/c1-28-14-4-13-23-20(27)17-5-2-3-6-18(17)24-21(29)25-19(26)12-9-15-7-10-16(22)11-8-15/h2-3,5-12H,4,13-14H2,1H3,(H,23,27)(H2,24,25,26,29)/b12-9+