1,1-di(butan-2-yl)-3-[(4-chlorophenyl)methyl]thiourea

Systemtic Name: 1,1-di(butan-2-yl)-3-[(4-chlorophenyl)methyl]thiourea Openeye Name: 3-[(4-chlorophenyl)methyl]-1,1-disec-butyl-thiourea CAS Name: 1,1-di(butan-2-yl)-3-[(4-chlorophenyl)methyl]thiourea IUPAC Name: 1,1-di(butan-2-yl)-3-[(4-chlorophenyl)methyl]thiourea Traditional Name: 3-(4-chlorobenzyl)-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)NCC1=CC=C(C=C1)Cl

Isomeric SMILES

CCC(C)N(C(C)CC)C(=S)NCC1=CC=C(C=C1)Cl

InChI

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