3-(1H-imidazol-5-yl)propyl N'-(4-phenylbutyl)carbamimidothioate

Systemtic Name: 3-(1H-imidazol-5-yl)propyl N'-(4-phenylbutyl)carbamimidothioate Openeye Name: 2-[3-(1H-imidazol-5-yl)propyl]-3-(4-phenylbutyl)isothiourea CAS Name: N'-(4-phenylbutyl)carbamimidothioic acid 3-(1H-imidazol-5-yl)propyl ester IUPAC Name: 3-(1H-imidazol-5-yl)propyl N'-(4-phenylbutyl)carbamimidothioate Traditional Name: 2-[3-(1H-imidazol-5-yl)propyl]-3-(4-phenylbutyl)isothiourea Formula: C17H24N4S MolecularWeight: 316.46426

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCN=C(N)SCCCC2=CN=CN2

Isomeric SMILES

C1=CC=C(C=C1)CCCCN=C(N)SCCCC2=CN=CN2

InChI

InChI=1S/C17H24N4S/c18-17(22-12-6-10-16-13-19-14-21-16)20-11-5-4-9-15-7-2-1-3-8-15/h1-3,7-8,13-14H,4-6,9-12H2,(H2,18,20)(H,19,21)