1-[3-(azepan-1-ylcarbonyl)phenyl]-3-prop-2-enyl-thiourea

Systemtic Name: 1-[3-(azepan-1-ylcarbonyl)phenyl]-3-prop-2-enyl-thiourea Openeye Name: 1-allyl-3-[3-(azepane-1-carbonyl)phenyl]thiourea CAS Name: 1-[3-[1-azepanyl(oxo)methyl]phenyl]-3-prop-2-enylthiourea IUPAC Name: 1-[3-(azepane-1-carbonyl)phenyl]-3-prop-2-enylthiourea Traditional Name: 1-allyl-3-[3-(azepane-1-carbonyl)phenyl]thiourea Formula: C17H23N3OS MolecularWeight: 317.44902

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N3OS/c1-2-10-18-17(22)19-15-9-7-8-14(13-15)16(21)20-11-5-3-4-6-12-20/h2,7-9,13H,1,3-6,10-12H2,(H2,18,19,22)