N-[2-[2-[(4-butoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]-2-methoxy-benzamide

Systemtic Name: N-[2-[2-[(4-butoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]-2-methoxy-benzamide Openeye Name: N-[2-[2-(4-butoxyanilino)-2-oxo-ethyl]sulfanyl-1,3-benzothiazol-6-yl]-2-methoxy-benzamide CAS Name: N-[2-[[2-(4-butoxyanilino)-2-oxoethyl]thio]-1,3-benzothiazol-6-yl]-2-methoxybenzamide IUPAC Name: N-[2-[2-(4-butoxyanilino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]-2-methoxybenzamide Traditional Name: N-[2-[[2-(4-butoxyanilino)-2-keto-ethyl]thio]-1,3-benzothiazol-6-yl]-2-methoxy-benzamide Formula: C27H27N3O4S2 MolecularWeight: 521.65098

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NC(=O)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC=CC=C4OC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC(=O)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC=CC=C4OC

InChI

InChI=1S/C27H27N3O4S2/c1-3-4-15-34-20-12-9-18(10-13-20)28-25(31)17-35-27-30-22-14-11-19(16-24(22)36-27)29-26(32)21-7-5-6-8-23(21)33-2/h5-14,16H,3-4,15,17H2,1-2H3,(H,28,31)(H,29,32)