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

Systemtic Name: 2-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]carbamothioylamino]-N-(3-oxidanylpropyl)benzamide Openeye Name: 2-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]carbamothioylamino]-N-(3-hydroxypropyl)benzamide CAS Name: 2-[[[[(E)-3-(2-chlorophenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]-N-(3-hydroxypropyl)benzamide IUPAC Name: 2-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]carbamothioylamino]-N-(3-hydroxypropyl)benzamide Traditional Name: 2-[[(E)-3-(2-chlorophenyl)acryloyl]thiocarbamoylamino]-N-(3-hydroxypropyl)benzamide Formula: C20H20ClN3O3S MolecularWeight: 417.9091

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C=CC(=O)NC(=S)NC2=CC=CC=C2C(=O)NCCCO)Cl

Isomeric SMILES

C1=CC=C(C(=C1)/C=C/C(=O)NC(=S)NC2=CC=CC=C2C(=O)NCCCO)Cl

InChI

InChI=1S/C20H20ClN3O3S/c21-16-8-3-1-6-14(16)10-11-18(26)24-20(28)23-17-9-4-2-7-15(17)19(27)22-12-5-13-25/h1-4,6-11,25H,5,12-13H2,(H,22,27)(H2,23,24,26,28)/b11-10+