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

Systemtic Name: N-[2-[2-[(4-butoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]-4-tert-butyl-benzamide Openeye Name: N-[2-[2-(4-butoxyanilino)-2-oxo-ethyl]sulfanyl-1,3-benzothiazol-6-yl]-4-tert-butyl-benzamide CAS Name: N-[2-[[2-(4-butoxyanilino)-2-oxoethyl]thio]-1,3-benzothiazol-6-yl]-4-tert-butylbenzamide IUPAC Name: N-[2-[2-(4-butoxyanilino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]-4-tert-butylbenzamide Traditional Name: N-[2-[[2-(4-butoxyanilino)-2-keto-ethyl]thio]-1,3-benzothiazol-6-yl]-4-tert-butyl-benzamide Formula: C30H33N3O3S2 MolecularWeight: 547.73132

Click to see the large picture

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=C(C=C4)C(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C30H33N3O3S2/c1-5-6-17-36-24-14-11-22(12-15-24)31-27(34)19-37-29-33-25-16-13-23(18-26(25)38-29)32-28(35)20-7-9-21(10-8-20)30(2,3)4/h7-16,18H,5-6,17,19H2,1-4H3,(H,31,34)(H,32,35)