S-(4,5-diphenyl-1H-imidazol-2-yl) 3-[(heptylamino)methyl]benzenecarbothioate

Systemtic Name: S-(4,5-diphenyl-1H-imidazol-2-yl) 3-[(heptylamino)methyl]benzenecarbothioate Openeye Name: S-(4,5-diphenyl-1H-imidazol-2-yl) 3-[(heptylamino)methyl]benzenecarbothioate CAS Name: 3-[(heptylamino)methyl]benzenecarbothioic acid S-(4,5-diphenyl-1H-imidazol-2-yl) ester IUPAC Name: S-(4,5-diphenyl-1H-imidazol-2-yl) 3-[(heptylamino)methyl]benzenecarbothioate Traditional Name: 3-[(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(=C1)C(=O)SC2=NC(=C(N2)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCCCCCCNCC1=CC=CC(=C1)C(=O)SC2=NC(=C(N2)C3=CC=CC=C3)C4=CC=CC=C4

InChI

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