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

Systemtic Name: N-[4-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-1,3-thiazol-2-yl]-4-(1,3-dithiolan-2-yl)benzamide Openeye Name: N-[4-(1-allyl-2,5-dimethyl-pyrrol-3-yl)thiazol-2-yl]-4-(1,3-dithiolan-2-yl)benzamide CAS Name: N-[4-(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)-2-thiazolyl]-4-(1,3-dithiolan-2-yl)benzamide IUPAC Name: N-[4-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-1,3-thiazol-2-yl]-4-(1,3-dithiolan-2-yl)benzamide Traditional Name: N-[4-(1-allyl-2,5-dimethyl-pyrrol-3-yl)thiazol-2-yl]-4-(1,3-dithiolan-2-yl)benzamide Formula: C22H23N3OS3 MolecularWeight: 441.63252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC=C)C)C2=CSC(=N2)NC(=O)C3=CC=C(C=C3)C4SCCS4

Isomeric SMILES

CC1=CC(=C(N1CC=C)C)C2=CSC(=N2)NC(=O)C3=CC=C(C=C3)C4SCCS4

InChI

InChI=1S/C22H23N3OS3/c1-4-9-25-14(2)12-18(15(25)3)19-13-29-22(23-19)24-20(26)16-5-7-17(8-6-16)21-27-10-11-28-21/h4-8,12-13,21H,1,9-11H2,2-3H3,(H,23,24,26)