(phenylmethyl) N'-(cycloheptylideneamino)carbamimidothioate

Systemtic Name: (phenylmethyl) N'-(cycloheptylideneamino)carbamimidothioate Openeye Name: 2-benzyl-3-(cycloheptylideneamino)isothiourea CAS Name: N'-(cycloheptylideneamino)carbamimidothioic acid (phenylmethyl) ester IUPAC Name: benzyl N'-(cycloheptylideneamino)carbamimidothioate Traditional Name: 2-benzyl-3-(cycloheptylideneamino)isothiourea Formula: C15H21N3S MolecularWeight: 275.41234

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(=NN=C(N)SCC2=CC=CC=C2)CC1

Isomeric SMILES

C1CCCC(=N/N=C(/N)\SCC2=CC=CC=C2)CC1

InChI

InChI=1S/C15H21N3S/c16-15(19-12-13-8-4-3-5-9-13)18-17-14-10-6-1-2-7-11-14/h3-5,8-9H,1-2,6-7,10-12H2,(H2,16,18)