1-[3-(azepan-1-yl)propyl]-3-phenyl-thiourea

Systemtic Name: 1-[3-(azepan-1-yl)propyl]-3-phenyl-thiourea Openeye Name: 1-[3-(azepan-1-yl)propyl]-3-phenyl-thiourea CAS Name: 1-[3-(1-azepanyl)propyl]-3-phenylthiourea IUPAC Name: 1-[3-(azepan-1-yl)propyl]-3-phenylthiourea Traditional Name: 1-[3-(azepan-1-yl)propyl]-3-phenyl-thiourea Formula: C16H25N3S MolecularWeight: 291.4548

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CCCNC(=S)NC2=CC=CC=C2

Isomeric SMILES

C1CCCN(CC1)CCCNC(=S)NC2=CC=CC=C2

InChI

InChI=1S/C16H25N3S/c20-16(18-15-9-4-3-5-10-15)17-11-8-14-19-12-6-1-2-7-13-19/h3-5,9-10H,1-2,6-8,11-14H2,(H2,17,18,20)