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

Systemtic Name: 1-[2-(azepan-1-yl)-5-chloranyl-phenyl]-3-(2-methoxyethyl)thiourea Openeye Name: 1-[2-(azepan-1-yl)-5-chloro-phenyl]-3-(2-methoxyethyl)thiourea CAS Name: 1-[2-(1-azepanyl)-5-chlorophenyl]-3-(2-methoxyethyl)thiourea IUPAC Name: 1-[2-(azepan-1-yl)-5-chlorophenyl]-3-(2-methoxyethyl)thiourea Traditional Name: 1-[2-(azepan-1-yl)-5-chloro-phenyl]-3-(2-methoxyethyl)thiourea Formula: C16H24ClN3OS MolecularWeight: 341.89926

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24ClN3OS/c1-21-11-8-18-16(22)19-14-12-13(17)6-7-15(14)20-9-4-2-3-5-10-20/h6-7,12H,2-5,8-11H2,1H3,(H2,18,19,22)