S-(4,5-diphenyl-1H-imidazol-2-yl) 2-[(heptylamino)methyl]benzenecarbothioate

Systemtic Name: S-(4,5-diphenyl-1H-imidazol-2-yl) 2-[(heptylamino)methyl]benzenecarbothioate Openeye Name: S-(4,5-diphenyl-1H-imidazol-2-yl) 2-[(heptylamino)methyl]benzenecarbothioate CAS Name: 2-[(heptylamino)methyl]benzenecarbothioic acid S-(4,5-diphenyl-1H-imidazol-2-yl) ester IUPAC Name: S-(4,5-diphenyl-1H-imidazol-2-yl) 2-[(heptylamino)methyl]benzenecarbothioate Traditional Name: 2-[(heptylamino)methyl]thiobenzoic acid S-(4,5-diphenyl-1H-imidazol-2-yl) ester Formula: C30H33N3OS MolecularWeight: 483.66752

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCNCC1=CC=CC=C1C(=O)SC2=NC(=C(N2)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCCCCCCNCC1=CC=CC=C1C(=O)SC2=NC(=C(N2)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C30H33N3OS/c1-2-3-4-5-14-21-31-22-25-19-12-13-20-26(25)29(34)35-30-32-27(23-15-8-6-9-16-23)28(33-30)24-17-10-7-11-18-24/h6-13,15-20,31H,2-5,14,21-22H2,1H3,(H,32,33)