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

Systemtic Name: 1-[2-(azepan-1-yl)-5-chloranyl-phenyl]-3-(2-dimethylaminoethyl)thiourea Openeye Name: 1-[2-(azepan-1-yl)-5-chloro-phenyl]-3-(2-dimethylaminoethyl)thiourea CAS Name: 1-[2-(1-azepanyl)-5-chlorophenyl]-3-(2-dimethylaminoethyl)thiourea IUPAC Name: 1-[2-(azepan-1-yl)-5-chlorophenyl]-3-(2-dimethylaminoethyl)thiourea Traditional Name: 1-[2-(azepan-1-yl)-5-chloro-phenyl]-3-(2-dimethylaminoethyl)thiourea Formula: C17H27ClN4S MolecularWeight: 354.94108

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCNC(=S)NC1=C(C=CC(=C1)Cl)N2CCCCCC2

Isomeric SMILES

CN(C)CCNC(=S)NC1=C(C=CC(=C1)Cl)N2CCCCCC2

InChI

InChI=1S/C17H27ClN4S/c1-21(2)12-9-19-17(23)20-15-13-14(18)7-8-16(15)22-10-5-3-4-6-11-22/h7-8,13H,3-6,9-12H2,1-2H3,(H2,19,20,23)