(3Z)-3-(6-isocyano-4-methyl-1,3-dihydrobenzimidazol-2-ylidene)-4-[(1-oxidanyl-3-thiophen-2-yl-propan-2-yl)amino]pyridin-2-one

Systemtic Name: (3Z)-3-(6-isocyano-4-methyl-1,3-dihydrobenzimidazol-2-ylidene)-4-[(1-oxidanyl-3-thiophen-2-yl-propan-2-yl)amino]pyridin-2-one Openeye Name: (3Z)-4-[[1-(hydroxymethyl)-2-(2-thienyl)ethyl]amino]-3-(6-isocyano-4-methyl-1,3-dihydrobenzimidazol-2-ylidene)pyridin-2-one CAS Name: (3Z)-4-[(1-hydroxy-3-thiophen-2-ylpropan-2-yl)amino]-3-(6-isocyano-4-methyl-1,3-dihydrobenzimidazol-2-ylidene)-2-pyridinone IUPAC Name: (3Z)-4-[(1-hydroxy-3-thiophen-2-ylpropan-2-yl)amino]-3-(6-isocyano-4-methyl-1,3-dihydrobenzimidazol-2-ylidene)pyridin-2-one Traditional Name: (3Z)-3-(6-isocyano-4-methyl-1,3-dihydrobenzimidazol-2-ylidene)-4-[[1-methylol-2-(2-thienyl)ethyl]amino]-2-pyridone Formula: C21H19N5O2S MolecularWeight: 405.47286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC2=C1NC(=C3C(=CC=NC3=O)NC(CC4=CC=CS4)CO)N2)[N+]#[C-]

Isomeric SMILES

CC1=CC(=CC2=C1N/C(=C\3/C(=CC=NC3=O)NC(CC4=CC=CS4)CO)/N2)[N+]#[C-]

InChI

InChI=1S/C21H19N5O2S/c1-12-8-13(22-2)10-17-19(12)26-20(25-17)18-16(5-6-23-21(18)28)24-14(11-27)9-15-4-3-7-29-15/h3-8,10,14,24-27H,9,11H2,1H3/b20-18-