1-cyclohexyl-3-[C-(4-methylphenyl)-N-(phenylmethyl)carbonimidoyl]thiourea hydrochloride

Systemtic Name: 1-cyclohexyl-3-[C-(4-methylphenyl)-N-(phenylmethyl)carbonimidoyl]thiourea hydrochloride Openeye Name: 1-[N-benzyl-C-(p-tolyl)carbonimidoyl]-3-cyclohexyl-thiourea hydrochloride CAS Name: 1-cyclohexyl-3-[(4-methylphenyl)-(phenylmethyl)iminomethyl]thiourea hydrochloride IUPAC Name: 1-[N-benzyl-C-(4-methylphenyl)carbonimidoyl]-3-cyclohexylthiourea hydrochloride Traditional Name: 1-[N-benzyl-C-(p-tolyl)carbonimidoyl]-3-cyclohexyl-thiourea hydrochloride Formula: C22H28ClN3S MolecularWeight: 401.99582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=NCC2=CC=CC=C2)NC(=S)NC3CCCCC3.Cl

Isomeric SMILES

CC1=CC=C(C=C1)C(=NCC2=CC=CC=C2)NC(=S)NC3CCCCC3.Cl

InChI

InChI=1S/C22H27N3S.ClH/c1-17-12-14-19(15-13-17)21(23-16-18-8-4-2-5-9-18)25-22(26)24-20-10-6-3-7-11-20;/h2,4-5,8-9,12-15,20H,3,6-7,10-11,16H2,1H3,(H2,23,24,25,26);1H