N-[4-[3-[5-(4-chlorophenyl)furan-2-yl]prop-2-enoylcarbamothioylamino]-2-methyl-phenyl]benzamide

Systemtic Name: N-[4-[3-[5-(4-chlorophenyl)furan-2-yl]prop-2-enoylcarbamothioylamino]-2-methyl-phenyl]benzamide Openeye Name: N-[4-[3-[5-(4-chlorophenyl)-2-furyl]prop-2-enoylcarbamothioylamino]-2-methyl-phenyl]benzamide CAS Name: N-[4-[[[[3-[5-(4-chlorophenyl)-2-furanyl]-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]-2-methylphenyl]benzamide IUPAC Name: N-[4-[3-[5-(4-chlorophenyl)furan-2-yl]prop-2-enoylcarbamothioylamino]-2-methylphenyl]benzamide Traditional Name: N-[4-[[3-[5-(4-chlorophenyl)-2-furyl]acryloyl]thiocarbamoylamino]-2-methyl-phenyl]benzamide Formula: C28H22ClN3O3S MolecularWeight: 516.01058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=S)NC(=O)C=CC2=CC=C(O2)C3=CC=C(C=C3)Cl)NC(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=S)NC(=O)C=CC2=CC=C(O2)C3=CC=C(C=C3)Cl)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C28H22ClN3O3S/c1-18-17-22(11-14-24(18)31-27(34)20-5-3-2-4-6-20)30-28(36)32-26(33)16-13-23-12-15-25(35-23)19-7-9-21(29)10-8-19/h2-17H,1H3,(H,31,34)(H2,30,32,33,36)