1-[2-(azepan-1-yl)-5-chloranyl-phenyl]-3-propan-2-yl-thiourea

Systemtic Name: 1-[2-(azepan-1-yl)-5-chloranyl-phenyl]-3-propan-2-yl-thiourea Openeye Name: 1-[2-(azepan-1-yl)-5-chloro-phenyl]-3-isopropyl-thiourea CAS Name: 1-[2-(1-azepanyl)-5-chlorophenyl]-3-propan-2-ylthiourea IUPAC Name: 1-[2-(azepan-1-yl)-5-chlorophenyl]-3-propan-2-ylthiourea Traditional Name: 1-[2-(azepan-1-yl)-5-chloro-phenyl]-3-isopropyl-thiourea Formula: C16H24ClN3S MolecularWeight: 325.89986

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=S)NC1=C(C=CC(=C1)Cl)N2CCCCCC2

Isomeric SMILES

CC(C)NC(=S)NC1=C(C=CC(=C1)Cl)N2CCCCCC2

InChI

InChI=1S/C16H24ClN3S/c1-12(2)18-16(21)19-14-11-13(17)7-8-15(14)20-9-5-3-4-6-10-20/h7-8,11-12H,3-6,9-10H2,1-2H3,(H2,18,19,21)