(1-phenethylbenzimidazol-2-yl)methyl carbamimidothioate

Systemtic Name: (1-phenethylbenzimidazol-2-yl)methyl carbamimidothioate Openeye Name: 2-[(1-phenethylbenzimidazol-2-yl)methyl]isothiourea CAS Name: carbamimidothioic acid (1-phenethyl-2-benzimidazolyl)methyl ester IUPAC Name: (1-phenethylbenzimidazol-2-yl)methyl carbamimidothioate Traditional Name: 2-[(1-phenethylbenzimidazol-2-yl)methyl]isothiourea Formula: C17H18N4S MolecularWeight: 310.41662

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C3=CC=CC=C3N=C2CSC(=N)N

Isomeric SMILES

C1=CC=C(C=C1)CCN2C3=CC=CC=C3N=C2CSC(=N)N

InChI

InChI=1S/C17H18N4S/c18-17(19)22-12-16-20-14-8-4-5-9-15(14)21(16)11-10-13-6-2-1-3-7-13/h1-9H,10-12H2,(H3,18,19)