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

Systemtic Name: N-(3-cyano-6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methyl-3-nitro-benzamide Openeye Name: N-(3-cyano-6-propyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-methyl-3-nitro-benzamide CAS Name: N-(3-cyano-6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methyl-3-nitrobenzamide IUPAC Name: N-(3-cyano-6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methyl-3-nitrobenzamide Traditional Name: N-(3-cyano-6-propyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-methyl-3-nitro-benzamide Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=C(C(=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

CCCC1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=C(C(=CC=C3)[N+](=O)[O-])C

InChI

InChI=1S/C20H21N3O3S/c1-3-5-13-8-9-15-16(11-21)20(27-18(15)10-13)22-19(24)14-6-4-7-17(12(14)2)23(25)26/h4,6-7,13H,3,5,8-10H2,1-2H3,(H,22,24)