N-[2-[1-[(4-ethylphenyl)amino]-1-oxidanylidene-butan-2-yl]sulfanyl-1,3-benzothiazol-6-yl]-3,4-dimethoxy-benzamide

Systemtic Name: N-[2-[1-[(4-ethylphenyl)amino]-1-oxidanylidene-butan-2-yl]sulfanyl-1,3-benzothiazol-6-yl]-3,4-dimethoxy-benzamide Openeye Name: N-[2-[1-[(4-ethylphenyl)carbamoyl]propylsulfanyl]-1,3-benzothiazol-6-yl]-3,4-dimethoxy-benzamide CAS Name: N-[2-[[1-(4-ethylanilino)-1-oxobutan-2-yl]thio]-1,3-benzothiazol-6-yl]-3,4-dimethoxybenzamide IUPAC Name: N-[2-[1-(4-ethylanilino)-1-oxobutan-2-yl]sulfanyl-1,3-benzothiazol-6-yl]-3,4-dimethoxybenzamide Traditional Name: N-[2-[1-[(4-ethylphenyl)carbamoyl]propylthio]-1,3-benzothiazol-6-yl]-3,4-dimethoxy-benzamide Formula: C28H29N3O4S2 MolecularWeight: 535.67756

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C(CC)SC2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)C(CC)SC2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C28H29N3O4S2/c1-5-17-7-10-19(11-8-17)29-27(33)24(6-2)36-28-31-21-13-12-20(16-25(21)37-28)30-26(32)18-9-14-22(34-3)23(15-18)35-4/h7-16,24H,5-6H2,1-4H3,(H,29,33)(H,30,32)