3-(3-chloranyl-4-methyl-phenyl)-1-[6-[(3-chloranyl-4-methyl-phenyl)carbamothioyl-(2-cyanoethyl)amino]hexyl]-1-(2-cyanoethyl)thiourea

Systemtic Name: 3-(3-chloranyl-4-methyl-phenyl)-1-[6-[(3-chloranyl-4-methyl-phenyl)carbamothioyl-(2-cyanoethyl)amino]hexyl]-1-(2-cyanoethyl)thiourea Openeye Name: 3-(3-chloro-4-methyl-phenyl)-1-[6-[(3-chloro-4-methyl-phenyl)carbamothioyl-(2-cyanoethyl)amino]hexyl]-1-(2-cyanoethyl)thiourea CAS Name: 1-[6-[[(3-chloro-4-methylanilino)-sulfanylidenemethyl]-(2-cyanoethyl)amino]hexyl]-3-(3-chloro-4-methylphenyl)-1-(2-cyanoethyl)thiourea IUPAC Name: 3-(3-chloro-4-methylphenyl)-1-[6-[(3-chloro-4-methylphenyl)carbamothioyl-(2-cyanoethyl)amino]hexyl]-1-(2-cyanoethyl)thiourea Traditional Name: 3-(3-chloro-4-methyl-phenyl)-1-[6-[(3-chloro-4-methyl-phenyl)thiocarbamoyl-(2-cyanoethyl)amino]hexyl]-1-(2-cyanoethyl)thiourea Formula: C28H34Cl2N6S2 MolecularWeight: 589.64576

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)N(CCCCCCN(CCC#N)C(=S)NC2=CC(=C(C=C2)C)Cl)CCC#N)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)N(CCCCCCN(CCC#N)C(=S)NC2=CC(=C(C=C2)C)Cl)CCC#N)Cl

InChI

InChI=1S/C28H34Cl2N6S2/c1-21-9-11-23(19-25(21)29)33-27(37)35(17-7-13-31)15-5-3-4-6-16-36(18-8-14-32)28(38)34-24-12-10-22(2)26(30)20-24/h9-12,19-20H,3-8,15-18H2,1-2H3,(H,33,37)(H,34,38)