N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-nitro-4-pyrrolidin-1-yl-benzamide

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3-nitro-4-pyrrolidino-benzamide Formula: C20H20N4O3S MolecularWeight: 396.4628

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-])C#N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-])C#N

InChI

InChI=1S/C20H20N4O3S/c21-12-15-14-5-1-2-6-18(14)28-20(15)22-19(25)13-7-8-16(17(11-13)24(26)27)23-9-3-4-10-23/h7-8,11H,1-6,9-10H2,(H,22,25)