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

Systemtic Name: N-(6-butyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-(phenylmethyl)sulfonyl-propanamide Openeye Name: 3-benzylsulfonyl-N-(6-butyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)propanamide CAS Name: N-(6-butyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-(phenylmethyl)sulfonylpropanamide IUPAC Name: 3-benzylsulfonyl-N-(6-butyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)propanamide Traditional Name: 3-benzylsulfonyl-N-(6-butyl-3-propargyl-1,3-benzothiazol-2-ylidene)propionamide Formula: C24H26N2O3S2 MolecularWeight: 454.60484

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)N(C(=NC(=O)CCS(=O)(=O)CC3=CC=CC=C3)S2)CC#C

Isomeric SMILES

CCCCC1=CC2=C(C=C1)N(C(=NC(=O)CCS(=O)(=O)CC3=CC=CC=C3)S2)CC#C

InChI

InChI=1S/C24H26N2O3S2/c1-3-5-9-19-12-13-21-22(17-19)30-24(26(21)15-4-2)25-23(27)14-16-31(28,29)18-20-10-7-6-8-11-20/h2,6-8,10-13,17H,3,5,9,14-16,18H2,1H3