1-(4-chlorophenyl)-3-[(3,3,5-trimethylcyclohexa-1,5-dien-1-yl)amino]thiourea

Systemtic Name: 1-(4-chlorophenyl)-3-[(3,3,5-trimethylcyclohexa-1,5-dien-1-yl)amino]thiourea Openeye Name: 1-(4-chlorophenyl)-3-[(3,3,5-trimethylcyclohexa-1,5-dien-1-yl)amino]thiourea CAS Name: 1-(4-chlorophenyl)-3-[(3,3,5-trimethyl-1-cyclohexa-1,5-dienyl)amino]thiourea IUPAC Name: 1-(4-chlorophenyl)-3-[(3,3,5-trimethylcyclohexa-1,5-dien-1-yl)amino]thiourea Traditional Name: 1-(4-chlorophenyl)-3-[(3,3,5-trimethylcyclohexa-1,5-dien-1-yl)amino]thiourea Formula: C16H20ClN3S MolecularWeight: 321.8681

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(C1)(C)C)NNC(=S)NC2=CC=C(C=C2)Cl

Isomeric SMILES

CC1=CC(=CC(C1)(C)C)NNC(=S)NC2=CC=C(C=C2)Cl

InChI

InChI=1S/C16H20ClN3S/c1-11-8-14(10-16(2,3)9-11)19-20-15(21)18-13-6-4-12(17)5-7-13/h4-8,10,19H,9H2,1-3H3,(H2,18,20,21)