N-[4-[(2-sulfanylidene-4,5,6,7-tetrahydro-3H-benzimidazol-1-yl)carbonyl]phenyl]ethanimidate

Systemtic Name: N-[4-[(2-sulfanylidene-4,5,6,7-tetrahydro-3H-benzimidazol-1-yl)carbonyl]phenyl]ethanimidate Openeye Name: N-[4-(2-thioxo-4,5,6,7-tetrahydro-3H-benzimidazole-1-carbonyl)phenyl]ethanimidate CAS Name: N-[4-[oxo-(2-sulfanylidene-4,5,6,7-tetrahydro-3H-benzimidazol-1-yl)methyl]phenyl]ethanimidate IUPAC Name: N-[4-(2-sulfanylidene-4,5,6,7-tetrahydro-3H-benzimidazole-1-carbonyl)phenyl]ethanimidate Traditional Name: N-[4-(2-thioxo-4,5,6,7-tetrahydro-3H-benzimidazole-1-carbonyl)phenyl]acetimidate Formula: C16H16N3O2S- MolecularWeight: 314.38214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=NC1=CC=C(C=C1)C(=O)N2C3=C(CCCC3)NC2=S)[O-]

Isomeric SMILES

CC(=NC1=CC=C(C=C1)C(=O)N2C3=C(CCCC3)NC2=S)[O-]

InChI

InChI=1S/C16H17N3O2S/c1-10(20)17-12-8-6-11(7-9-12)15(21)19-14-5-3-2-4-13(14)18-16(19)22/h6-9H,2-5H2,1H3,(H,17,20)(H,18,22)/p-1