N-[2-[2-[(2,6-diethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]-3-methyl-benzamide

Systemtic Name: N-[2-[2-[(2,6-diethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]-3-methyl-benzamide Openeye Name: N-[2-[2-(2,6-diethylanilino)-2-oxo-ethyl]sulfanyl-1,3-benzothiazol-6-yl]-3-methyl-benzamide CAS Name: N-[2-[[2-(2,6-diethylanilino)-2-oxoethyl]thio]-1,3-benzothiazol-6-yl]-3-methylbenzamide IUPAC Name: N-[2-[2-(2,6-diethylanilino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]-3-methylbenzamide Traditional Name: N-[2-[[2-(2,6-diethylanilino)-2-keto-ethyl]thio]-1,3-benzothiazol-6-yl]-3-methyl-benzamide Formula: C27H27N3O2S2 MolecularWeight: 489.65218

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC(=CC=C4)C

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC(=CC=C4)C

InChI

InChI=1S/C27H27N3O2S2/c1-4-18-9-7-10-19(5-2)25(18)30-24(31)16-33-27-29-22-13-12-21(15-23(22)34-27)28-26(32)20-11-6-8-17(3)14-20/h6-15H,4-5,16H2,1-3H3,(H,28,32)(H,30,31)