(5Z)-2-[(4-butylphenyl)amino]-5-(1-methyl-2-oxidanylidene-indol-3-ylidene)-1,3-thiazol-4-one

Systemtic Name: (5Z)-2-[(4-butylphenyl)amino]-5-(1-methyl-2-oxidanylidene-indol-3-ylidene)-1,3-thiazol-4-one Openeye Name: (5Z)-2-(4-butylanilino)-5-(1-methyl-2-oxo-indolin-3-ylidene)thiazol-4-one CAS Name: (5Z)-2-(4-butylanilino)-5-(1-methyl-2-oxo-3-indolylidene)-4-thiazolone IUPAC Name: (5Z)-2-(4-butylanilino)-5-(1-methyl-2-oxoindol-3-ylidene)-1,3-thiazol-4-one Traditional Name: (5Z)-2-(4-butylanilino)-5-(2-keto-1-methyl-indolin-3-ylidene)-2-thiazolin-4-one Formula: C22H21N3O2S MolecularWeight: 391.48604

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC2=NC(=O)C(=C3C4=CC=CC=C4N(C3=O)C)S2

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC2=NC(=O)/C(=C/3\C4=CC=CC=C4N(C3=O)C)/S2

InChI

InChI=1S/C22H21N3O2S/c1-3-4-7-14-10-12-15(13-11-14)23-22-24-20(26)19(28-22)18-16-8-5-6-9-17(16)25(2)21(18)27/h5-6,8-13H,3-4,7H2,1-2H3,(H,23,24,26)/b19-18-