N-[3-[[(3,4-dichlorophenyl)carbamothioylamino]carbamoyl]phenyl]-7-phenyl-heptanamide

Systemtic Name: N-[3-[[(3,4-dichlorophenyl)carbamothioylamino]carbamoyl]phenyl]-7-phenyl-heptanamide Openeye Name: N-[3-[[(3,4-dichlorophenyl)carbamothioylamino]carbamoyl]phenyl]-7-phenyl-heptanamide CAS Name: N-[3-[[[(3,4-dichloroanilino)-sulfanylidenemethyl]hydrazo]-oxomethyl]phenyl]-7-phenylheptanamide IUPAC Name: N-[3-[[(3,4-dichlorophenyl)carbamothioylamino]carbamoyl]phenyl]-7-phenylheptanamide Traditional Name: N-[3-[[(3,4-dichlorophenyl)thiocarbamoylamino]carbamoyl]phenyl]-7-phenyl-enanthamide Formula: C27H28Cl2N4O2S MolecularWeight: 543.50782

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H28Cl2N4O2S/c28-23-16-15-22(18-24(23)29)31-27(36)33-32-26(35)20-12-8-13-21(17-20)30-25(34)14-7-2-1-4-9-19-10-5-3-6-11-19/h3,5-6,8,10-13,15-18H,1-2,4,7,9,14H2,(H,30,34)(H,32,35)(H2,31,33,36)