(phenylmethyl) N'-(cyclopentylideneamino)carbamimidothioate

Systemtic Name: (phenylmethyl) N'-(cyclopentylideneamino)carbamimidothioate Openeye Name: 2-benzyl-3-(cyclopentylideneamino)isothiourea CAS Name: N'-(cyclopentylideneamino)carbamimidothioic acid (phenylmethyl) ester IUPAC Name: benzyl N'-(cyclopentylideneamino)carbamimidothioate Traditional Name: 2-benzyl-3-(cyclopentylideneamino)isothiourea Formula: C13H17N3S MolecularWeight: 247.35918

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=NN=C(N)SCC2=CC=CC=C2)C1

Isomeric SMILES

C1CCC(=N/N=C(/N)\SCC2=CC=CC=C2)C1

InChI

InChI=1S/C13H17N3S/c14-13(16-15-12-8-4-5-9-12)17-10-11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10H2,(H2,14,16)