2-[[(E)-3-[5-(3-chloranyl-4-methyl-phenyl)furan-2-yl]prop-2-enoyl]carbamothioylamino]benzamide

Systemtic Name: 2-[[(E)-3-[5-(3-chloranyl-4-methyl-phenyl)furan-2-yl]prop-2-enoyl]carbamothioylamino]benzamide Openeye Name: 2-[[(E)-3-[5-(3-chloro-4-methyl-phenyl)-2-furyl]prop-2-enoyl]carbamothioylamino]benzamide CAS Name: 2-[[[[(E)-3-[5-(3-chloro-4-methylphenyl)-2-furanyl]-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: 2-[[(E)-3-[5-(3-chloro-4-methylphenyl)furan-2-yl]prop-2-enoyl]carbamothioylamino]benzamide Traditional Name: 2-[[(E)-3-[5-(3-chloro-4-methyl-phenyl)-2-furyl]acryloyl]thiocarbamoylamino]benzamide Formula: C22H18ClN3O3S MolecularWeight: 439.91462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CC=C(O2)C=CC(=O)NC(=S)NC3=CC=CC=C3C(=O)N)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CC=C(O2)/C=C/C(=O)NC(=S)NC3=CC=CC=C3C(=O)N)Cl

InChI

InChI=1S/C22H18ClN3O3S/c1-13-6-7-14(12-17(13)23)19-10-8-15(29-19)9-11-20(27)26-22(30)25-18-5-3-2-4-16(18)21(24)28/h2-12H,1H3,(H2,24,28)(H2,25,26,27,30)/b11-9+