3-(3-chloranyl-2-methyl-phenyl)-1,1-dipentyl-thiourea

Systemtic Name: 3-(3-chloranyl-2-methyl-phenyl)-1,1-dipentyl-thiourea Openeye Name: 3-(3-chloro-2-methyl-phenyl)-1,1-dipentyl-thiourea CAS Name: 3-(3-chloro-2-methylphenyl)-1,1-dipentylthiourea IUPAC Name: 3-(3-chloro-2-methylphenyl)-1,1-dipentylthiourea Traditional Name: 1,1-diamyl-3-(3-chloro-2-methyl-phenyl)thiourea Formula: C18H29ClN2S MolecularWeight: 340.95426

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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