N-(6-butyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-(4-methoxyphenyl)sulfonyl-propanamide

Systemtic Name: N-(6-butyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-(4-methoxyphenyl)sulfonyl-propanamide Openeye Name: N-(6-butyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-(4-methoxyphenyl)sulfonyl-propanamide CAS Name: N-(6-butyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-(4-methoxyphenyl)sulfonylpropanamide IUPAC Name: N-(6-butyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-(4-methoxyphenyl)sulfonylpropanamide Traditional Name: N-(6-butyl-3-propargyl-1,3-benzothiazol-2-ylidene)-3-(4-methoxyphenyl)sulfonyl-propionamide Formula: C24H26N2O4S2 MolecularWeight: 470.60424

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)N(C(=NC(=O)CCS(=O)(=O)C3=CC=C(C=C3)OC)S2)CC#C

Isomeric SMILES

CCCCC1=CC2=C(C=C1)N(C(=NC(=O)CCS(=O)(=O)C3=CC=C(C=C3)OC)S2)CC#C

InChI

InChI=1S/C24H26N2O4S2/c1-4-6-7-18-8-13-21-22(17-18)31-24(26(21)15-5-2)25-23(27)14-16-32(28,29)20-11-9-19(30-3)10-12-20/h2,8-13,17H,4,6-7,14-16H2,1,3H3