(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-2-[(4-butylphenyl)amino]-1,3-thiazol-4-one

Systemtic Name: (5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-2-[(4-butylphenyl)amino]-1,3-thiazol-4-one Openeye Name: (5Z)-5-(1,3-benzodioxol-5-ylmethylene)-2-(4-butylanilino)thiazol-4-one CAS Name: (5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-2-(4-butylanilino)-4-thiazolone IUPAC Name: (5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-2-(4-butylanilino)-1,3-thiazol-4-one Traditional Name: (5Z)-2-(4-butylanilino)-5-piperonylidene-2-thiazolin-4-one Formula: C21H20N2O3S MolecularWeight: 380.4601

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC2=NC(=O)C(=CC3=CC4=C(C=C3)OCO4)S2

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC2=NC(=O)/C(=C/C3=CC4=C(C=C3)OCO4)/S2

InChI

InChI=1S/C21H20N2O3S/c1-2-3-4-14-5-8-16(9-6-14)22-21-23-20(24)19(27-21)12-15-7-10-17-18(11-15)26-13-25-17/h5-12H,2-4,13H2,1H3,(H,22,23,24)/b19-12-