1-(azepan-1-yl)-1-(2-cyanoethyl)-3-(4-fluorophenyl)thiourea

Systemtic Name: 1-(azepan-1-yl)-1-(2-cyanoethyl)-3-(4-fluorophenyl)thiourea Openeye Name: 1-(azepan-1-yl)-1-(2-cyanoethyl)-3-(4-fluorophenyl)thiourea CAS Name: 1-(1-azepanyl)-1-(2-cyanoethyl)-3-(4-fluorophenyl)thiourea IUPAC Name: 1-(azepan-1-yl)-1-(2-cyanoethyl)-3-(4-fluorophenyl)thiourea Traditional Name: 1-(azepan-1-yl)-1-(2-cyanoethyl)-3-(4-fluorophenyl)thiourea Formula: C16H21FN4S MolecularWeight: 320.428143

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)N(CCC#N)C(=S)NC2=CC=C(C=C2)F

Isomeric SMILES

C1CCCN(CC1)N(CCC#N)C(=S)NC2=CC=C(C=C2)F

InChI

InChI=1S/C16H21FN4S/c17-14-6-8-15(9-7-14)19-16(22)21(13-5-10-18)20-11-3-1-2-4-12-20/h6-9H,1-5,11-13H2,(H,19,22)