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

Systemtic Name: 1-[2-(azepan-1-yl)-5-chloranyl-phenyl]-3-ethyl-thiourea Openeye Name: 1-[2-(azepan-1-yl)-5-chloro-phenyl]-3-ethyl-thiourea CAS Name: 1-[2-(1-azepanyl)-5-chlorophenyl]-3-ethylthiourea IUPAC Name: 1-[2-(azepan-1-yl)-5-chlorophenyl]-3-ethylthiourea Traditional Name: 1-[2-(azepan-1-yl)-5-chloro-phenyl]-3-ethyl-thiourea Formula: C15H22ClN3S MolecularWeight: 311.87328

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22ClN3S/c1-2-17-15(20)18-13-11-12(16)7-8-14(13)19-9-5-3-4-6-10-19/h7-8,11H,2-6,9-10H2,1H3,(H2,17,18,20)