6-[2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl]sulfanyl-5-cyano-2-methyl-N,4-diphenyl-1,4-dihydropyridine-3-carboxamide

Systemtic Name: 6-[2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl]sulfanyl-5-cyano-2-methyl-N,4-diphenyl-1,4-dihydropyridine-3-carboxamide Openeye Name: 6-[2-(1,3-benzothiazol-2-ylamino)-2-oxo-ethyl]sulfanyl-5-cyano-2-methyl-N,4-diphenyl-1,4-dihydropyridine-3-carboxamide CAS Name: 6-[[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]thio]-5-cyano-2-methyl-N,4-diphenyl-1,4-dihydropyridine-3-carboxamide IUPAC Name: 6-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]sulfanyl-5-cyano-2-methyl-N,4-diphenyl-1,4-dihydropyridine-3-carboxamide Traditional Name: 6-[[2-(1,3-benzothiazol-2-ylamino)-2-keto-ethyl]thio]-5-cyano-2-methyl-N,4-diphenyl-1,4-dihydropyridine-3-carboxamide Formula: C29H23N5O2S2 MolecularWeight: 537.65522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)SCC(=O)NC2=NC3=CC=CC=C3S2)C#N)C4=CC=CC=C4)C(=O)NC5=CC=CC=C5

Isomeric SMILES

CC1=C(C(C(=C(N1)SCC(=O)NC2=NC3=CC=CC=C3S2)C#N)C4=CC=CC=C4)C(=O)NC5=CC=CC=C5

InChI

InChI=1S/C29H23N5O2S2/c1-18-25(27(36)32-20-12-6-3-7-13-20)26(19-10-4-2-5-11-19)21(16-30)28(31-18)37-17-24(35)34-29-33-22-14-8-9-15-23(22)38-29/h2-15,26,31H,17H2,1H3,(H,32,36)(H,33,34,35)