3-(3-chloranyl-4-methyl-phenyl)-1-heptyl-1-(phenylmethyl)thiourea

Systemtic Name: 3-(3-chloranyl-4-methyl-phenyl)-1-heptyl-1-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-(3-chloro-4-methyl-phenyl)-1-heptyl-thiourea CAS Name: 3-(3-chloro-4-methylphenyl)-1-heptyl-1-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-(3-chloro-4-methylphenyl)-1-heptylthiourea Traditional Name: 1-benzyl-3-(3-chloro-4-methyl-phenyl)-1-heptyl-thiourea Formula: C22H29ClN2S MolecularWeight: 388.99706

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN(CC1=CC=CC=C1)C(=S)NC2=CC(=C(C=C2)C)Cl

Isomeric SMILES

CCCCCCCN(CC1=CC=CC=C1)C(=S)NC2=CC(=C(C=C2)C)Cl

InChI

InChI=1S/C22H29ClN2S/c1-3-4-5-6-10-15-25(17-19-11-8-7-9-12-19)22(26)24-20-14-13-18(2)21(23)16-20/h7-9,11-14,16H,3-6,10,15,17H2,1-2H3,(H,24,26)