1-(3-chloranyl-4-methyl-phenyl)-3-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]thiourea

Systemtic Name: 1-(3-chloranyl-4-methyl-phenyl)-3-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]thiourea Openeye Name: 1-(3-chloro-4-methyl-phenyl)-3-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]thiourea CAS Name: 1-(3-chloro-4-methylphenyl)-3-[2-[(2-cyanophenyl)methylthio]ethyl]thiourea IUPAC Name: 1-(3-chloro-4-methylphenyl)-3-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]thiourea Traditional Name: 1-(3-chloro-4-methyl-phenyl)-3-[2-[(2-cyanobenzyl)thio]ethyl]thiourea Formula: C18H18ClN3S2 MolecularWeight: 375.93862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)NCCSCC2=CC=CC=C2C#N)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)NCCSCC2=CC=CC=C2C#N)Cl

InChI

InChI=1S/C18H18ClN3S2/c1-13-6-7-16(10-17(13)19)22-18(23)21-8-9-24-12-15-5-3-2-4-14(15)11-20/h2-7,10H,8-9,12H2,1H3,(H2,21,22,23)