1-[(4-chlorophenyl)methyl]-3-(6-methylheptan-2-yl)thiourea

Systemtic Name: 1-[(4-chlorophenyl)methyl]-3-(6-methylheptan-2-yl)thiourea Openeye Name: 1-[(4-chlorophenyl)methyl]-3-(1,5-dimethylhexyl)thiourea CAS Name: 1-[(4-chlorophenyl)methyl]-3-(6-methylheptan-2-yl)thiourea IUPAC Name: 1-[(4-chlorophenyl)methyl]-3-(6-methylheptan-2-yl)thiourea Traditional Name: 1-(4-chlorobenzyl)-3-(1,5-dimethylhexyl)thiourea Formula: C16H25ClN2S MolecularWeight: 312.9011

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)NC(=S)NCC1=CC=C(C=C1)Cl

Isomeric SMILES

CC(C)CCCC(C)NC(=S)NCC1=CC=C(C=C1)Cl

InChI

InChI=1S/C16H25ClN2S/c1-12(2)5-4-6-13(3)19-16(20)18-11-14-7-9-15(17)10-8-14/h7-10,12-13H,4-6,11H2,1-3H3,(H2,18,19,20)