N-[3-[[(3,4-dichlorophenyl)carbamothioylamino]carbamoyl]phenyl]-5-phenyl-pentanamide

Systemtic Name: N-[3-[[(3,4-dichlorophenyl)carbamothioylamino]carbamoyl]phenyl]-5-phenyl-pentanamide Openeye Name: N-[3-[[(3,4-dichlorophenyl)carbamothioylamino]carbamoyl]phenyl]-5-phenyl-pentanamide CAS Name: N-[3-[[[(3,4-dichloroanilino)-sulfanylidenemethyl]hydrazo]-oxomethyl]phenyl]-5-phenylpentanamide IUPAC Name: N-[3-[[(3,4-dichlorophenyl)carbamothioylamino]carbamoyl]phenyl]-5-phenylpentanamide Traditional Name: N-[3-[[(3,4-dichlorophenyl)thiocarbamoylamino]carbamoyl]phenyl]-5-phenyl-valeramide Formula: C25H24Cl2N4O2S MolecularWeight: 515.45466

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCC(=O)NC2=CC=CC(=C2)C(=O)NNC(=S)NC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

C1=CC=C(C=C1)CCCCC(=O)NC2=CC=CC(=C2)C(=O)NNC(=S)NC3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C25H24Cl2N4O2S/c26-21-14-13-20(16-22(21)27)29-25(34)31-30-24(33)18-10-6-11-19(15-18)28-23(32)12-5-4-9-17-7-2-1-3-8-17/h1-3,6-8,10-11,13-16H,4-5,9,12H2,(H,28,32)(H,30,33)(H2,29,31,34)