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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)NC(=S)NC(=O)C=CC3=CC=C(O3)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)NC(=S)NC(=O)C=CC3=CC=C(O3)C4=CC=C(C=C4)Cl

InChI

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