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

Systemtic Name: 4-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]carbamothioylamino]-N-(3-methoxypropyl)benzamide Openeye Name: 4-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]carbamothioylamino]-N-(3-methoxypropyl)benzamide CAS Name: 4-[[[[(E)-3-(2-chlorophenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]-N-(3-methoxypropyl)benzamide IUPAC Name: 4-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]carbamothioylamino]-N-(3-methoxypropyl)benzamide Traditional Name: 4-[[(E)-3-(2-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=C(C=C1)NC(=S)NC(=O)C=CC2=CC=CC=C2Cl

Isomeric SMILES

COCCCNC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)/C=C/C2=CC=CC=C2Cl

InChI

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