4-(cyclohexylcarbamothioylamino)-N-[(E)-(3,4-dichlorophenyl)methylideneamino]benzamide

Systemtic Name: 4-(cyclohexylcarbamothioylamino)-N-[(E)-(3,4-dichlorophenyl)methylideneamino]benzamide Openeye Name: 4-(cyclohexylcarbamothioylamino)-N-[(E)-(3,4-dichlorophenyl)methyleneamino]benzamide CAS Name: 4-[[(cyclohexylamino)-sulfanylidenemethyl]amino]-N-[(E)-(3,4-dichlorophenyl)methylideneamino]benzamide IUPAC Name: 4-(cyclohexylcarbamothioylamino)-N-[(E)-(3,4-dichlorophenyl)methylideneamino]benzamide Traditional Name: 4-(cyclohexylthiocarbamoylamino)-N-[(E)-(3,4-dichlorobenzylidene)amino]benzamide Formula: C21H22Cl2N4OS MolecularWeight: 449.39658

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=S)NC2=CC=C(C=C2)C(=O)NN=CC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

C1CCC(CC1)NC(=S)NC2=CC=C(C=C2)C(=O)N/N=C/C3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C21H22Cl2N4OS/c22-18-11-6-14(12-19(18)23)13-24-27-20(28)15-7-9-17(10-8-15)26-21(29)25-16-4-2-1-3-5-16/h6-13,16H,1-5H2,(H,27,28)(H2,25,26,29)/b24-13+