N-[4-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-1,3-thiazol-2-yl]-2-methoxy-4-methylsulfanyl-benzamide

Systemtic Name: N-[4-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-1,3-thiazol-2-yl]-2-methoxy-4-methylsulfanyl-benzamide Openeye Name: N-[4-(1-allyl-2,5-dimethyl-pyrrol-3-yl)thiazol-2-yl]-2-methoxy-4-methylsulfanyl-benzamide CAS Name: N-[4-(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)-2-thiazolyl]-2-methoxy-4-(methylthio)benzamide IUPAC Name: N-[4-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-1,3-thiazol-2-yl]-2-methoxy-4-methylsulfanylbenzamide Traditional Name: N-[4-(1-allyl-2,5-dimethyl-pyrrol-3-yl)thiazol-2-yl]-2-methoxy-4-(methylthio)benzamide Formula: C21H23N3O2S2 MolecularWeight: 413.55622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC=C)C)C2=CSC(=N2)NC(=O)C3=C(C=C(C=C3)SC)OC

Isomeric SMILES

CC1=CC(=C(N1CC=C)C)C2=CSC(=N2)NC(=O)C3=C(C=C(C=C3)SC)OC

InChI

InChI=1S/C21H23N3O2S2/c1-6-9-24-13(2)10-17(14(24)3)18-12-28-21(22-18)23-20(25)16-8-7-15(27-5)11-19(16)26-4/h6-8,10-12H,1,9H2,2-5H3,(H,22,23,25)