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

Systemtic Name: 1-[2-(azepan-1-yl)-5-chloranyl-phenyl]-3-prop-2-enyl-thiourea Openeye Name: 1-allyl-3-[2-(azepan-1-yl)-5-chloro-phenyl]thiourea CAS Name: 1-[2-(1-azepanyl)-5-chlorophenyl]-3-prop-2-enylthiourea IUPAC Name: 1-[2-(azepan-1-yl)-5-chlorophenyl]-3-prop-2-enylthiourea Traditional Name: 1-allyl-3-[2-(azepan-1-yl)-5-chloro-phenyl]thiourea Formula: C16H22ClN3S MolecularWeight: 323.88398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22ClN3S/c1-2-9-18-16(21)19-14-12-13(17)7-8-15(14)20-10-5-3-4-6-11-20/h2,7-8,12H,1,3-6,9-11H2,(H2,18,19,21)