N-[4-[[3-(2-chlorophenyl)propanoylcarbamothioylamino]carbamoyl]phenyl]-3-methyl-benzamide

Systemtic Name: N-[4-[[3-(2-chlorophenyl)propanoylcarbamothioylamino]carbamoyl]phenyl]-3-methyl-benzamide Openeye Name: N-[4-[[3-(2-chlorophenyl)propanoylcarbamothioylamino]carbamoyl]phenyl]-3-methyl-benzamide CAS Name: N-[4-[[[[[3-(2-chlorophenyl)-1-oxopropyl]amino]-sulfanylidenemethyl]hydrazo]-oxomethyl]phenyl]-3-methylbenzamide IUPAC Name: N-[4-[[3-(2-chlorophenyl)propanoylcarbamothioylamino]carbamoyl]phenyl]-3-methylbenzamide Traditional Name: N-[4-[[3-(2-chlorophenyl)propanoylthiocarbamoylamino]carbamoyl]phenyl]-3-methyl-benzamide Formula: C25H23ClN4O3S MolecularWeight: 494.99312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)C(=O)NNC(=S)NC(=O)CCC3=CC=CC=C3Cl

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)C(=O)NNC(=S)NC(=O)CCC3=CC=CC=C3Cl

InChI

InChI=1S/C25H23ClN4O3S/c1-16-5-4-7-19(15-16)23(32)27-20-12-9-18(10-13-20)24(33)29-30-25(34)28-22(31)14-11-17-6-2-3-8-21(17)26/h2-10,12-13,15H,11,14H2,1H3,(H,27,32)(H,29,33)(H2,28,30,31,34)