N-[4-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-1,3-thiazol-2-yl]-4-methoxy-3-nitro-benzamide

Systemtic Name: N-[4-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-1,3-thiazol-2-yl]-4-methoxy-3-nitro-benzamide Openeye Name: N-[4-(2,5-dimethyl-1-propyl-pyrrol-3-yl)thiazol-2-yl]-4-methoxy-3-nitro-benzamide CAS Name: N-[4-(2,5-dimethyl-1-propyl-3-pyrrolyl)-2-thiazolyl]-4-methoxy-3-nitrobenzamide IUPAC Name: N-[4-(2,5-dimethyl-1-propylpyrrol-3-yl)-1,3-thiazol-2-yl]-4-methoxy-3-nitrobenzamide Traditional Name: N-[4-(2,5-dimethyl-1-propyl-pyrrol-3-yl)thiazol-2-yl]-4-methoxy-3-nitro-benzamide Formula: C20H22N4O4S MolecularWeight: 414.47808

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=CC(=C1C)C2=CSC(=N2)NC(=O)C3=CC(=C(C=C3)OC)[N+](=O)[O-])C

Isomeric SMILES

CCCN1C(=CC(=C1C)C2=CSC(=N2)NC(=O)C3=CC(=C(C=C3)OC)[N+](=O)[O-])C

InChI

InChI=1S/C20H22N4O4S/c1-5-8-23-12(2)9-15(13(23)3)16-11-29-20(21-16)22-19(25)14-6-7-18(28-4)17(10-14)24(26)27/h6-7,9-11H,5,8H2,1-4H3,(H,21,22,25)