3-(3-chloranyl-4-methyl-phenyl)-1,1-dipentyl-thiourea

Systemtic Name: 3-(3-chloranyl-4-methyl-phenyl)-1,1-dipentyl-thiourea Openeye Name: 3-(3-chloro-4-methyl-phenyl)-1,1-dipentyl-thiourea CAS Name: 3-(3-chloro-4-methylphenyl)-1,1-dipentylthiourea IUPAC Name: 3-(3-chloro-4-methylphenyl)-1,1-dipentylthiourea Traditional Name: 1,1-diamyl-3-(3-chloro-4-methyl-phenyl)thiourea Formula: C18H29ClN2S MolecularWeight: 340.95426

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CCCCC)C(=S)NC1=CC(=C(C=C1)C)Cl

Isomeric SMILES

CCCCCN(CCCCC)C(=S)NC1=CC(=C(C=C1)C)Cl

InChI

InChI=1S/C18H29ClN2S/c1-4-6-8-12-21(13-9-7-5-2)18(22)20-16-11-10-15(3)17(19)14-16/h10-11,14H,4-9,12-13H2,1-3H3,(H,20,22)