1,1-di(butan-2-yl)-3-(5-chloranyl-2-methyl-phenyl)thiourea

Systemtic Name: 1,1-di(butan-2-yl)-3-(5-chloranyl-2-methyl-phenyl)thiourea Openeye Name: 3-(5-chloro-2-methyl-phenyl)-1,1-disec-butyl-thiourea CAS Name: 1,1-di(butan-2-yl)-3-(5-chloro-2-methylphenyl)thiourea IUPAC Name: 1,1-di(butan-2-yl)-3-(5-chloro-2-methylphenyl)thiourea Traditional Name: 3-(5-chloro-2-methyl-phenyl)-1,1-disec-butyl-thiourea Formula: C16H25ClN2S MolecularWeight: 312.9011

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(C(C)CC)C(=S)NC1=C(C=CC(=C1)Cl)C

Isomeric SMILES

CCC(C)N(C(C)CC)C(=S)NC1=C(C=CC(=C1)Cl)C

InChI

InChI=1S/C16H25ClN2S/c1-6-12(4)19(13(5)7-2)16(20)18-15-10-14(17)9-8-11(15)3/h8-10,12-13H,6-7H2,1-5H3,(H,18,20)