N-[[5-[2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl]sulfanyl-4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]naphthalene-1-carboxamide

Systemtic Name: N-[[5-[2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl]sulfanyl-4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]naphthalene-1-carboxamide Openeye Name: N-[[5-[2-(1,3-benzothiazol-2-ylamino)-2-oxo-ethyl]sulfanyl-4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]naphthalene-1-carboxamide CAS Name: N-[[5-[[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]thio]-4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]-1-naphthalenecarboxamide IUPAC Name: N-[[5-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]sulfanyl-4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]naphthalene-1-carboxamide Traditional Name: N-[[5-[[2-(1,3-benzothiazol-2-ylamino)-2-keto-ethyl]thio]-4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]-1-naphthamide Formula: C30H24N6O3S2 MolecularWeight: 580.67996

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C(=NN=C2SCC(=O)NC3=NC4=CC=CC=C4S3)CNC(=O)C5=CC=CC6=CC=CC=C65

Isomeric SMILES

COC1=CC=CC=C1N2C(=NN=C2SCC(=O)NC3=NC4=CC=CC=C4S3)CNC(=O)C5=CC=CC6=CC=CC=C65

InChI

InChI=1S/C30H24N6O3S2/c1-39-24-15-6-5-14-23(24)36-26(17-31-28(38)21-12-8-10-19-9-2-3-11-20(19)21)34-35-30(36)40-18-27(37)33-29-32-22-13-4-7-16-25(22)41-29/h2-16H,17-18H2,1H3,(H,31,38)(H,32,33,37)