N-(3-cyano-4,5-dimethyl-thiophen-2-yl)-3-nitro-4-piperidin-1-yl-benzamide

Systemtic Name: N-(3-cyano-4,5-dimethyl-thiophen-2-yl)-3-nitro-4-piperidin-1-yl-benzamide Openeye Name: N-(3-cyano-4,5-dimethyl-2-thienyl)-3-nitro-4-(1-piperidyl)benzamide CAS Name: N-(3-cyano-4,5-dimethyl-2-thiophenyl)-3-nitro-4-(1-piperidinyl)benzamide IUPAC Name: N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-nitro-4-piperidin-1-ylbenzamide Traditional Name: N-(3-cyano-4,5-dimethyl-2-thienyl)-3-nitro-4-piperidino-benzamide Formula: C19H20N4O3S MolecularWeight: 384.4521

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C#N)NC(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(SC(=C1C#N)NC(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-])C

InChI

InChI=1S/C19H20N4O3S/c1-12-13(2)27-19(15(12)11-20)21-18(24)14-6-7-16(17(10-14)23(25)26)22-8-4-3-5-9-22/h6-7,10H,3-5,8-9H2,1-2H3,(H,21,24)