3-acetamido-N-[[1-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2,5-dimethyl-pyrrol-3-yl]methylideneamino]benzamide

Systemtic Name: 3-acetamido-N-[[1-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2,5-dimethyl-pyrrol-3-yl]methylideneamino]benzamide Openeye Name: 3-acetamido-N-[[1-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2,5-dimethyl-pyrrol-3-yl]methyleneamino]benzamide CAS Name: 3-acetamido-N-[[1-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2,5-dimethyl-3-pyrrolyl]methylideneamino]benzamide IUPAC Name: 3-acetamido-N-[[1-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2,5-dimethylpyrrol-3-yl]methylideneamino]benzamide Traditional Name: 3-acetamido-N-[[1-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2,5-dimethyl-pyrrol-3-yl]methyleneamino]benzamide Formula: C25H25N5O2S MolecularWeight: 459.5633

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=C(C3=C(S2)CCCC3)C#N)C)C=NNC(=O)C4=CC(=CC=C4)NC(=O)C

Isomeric SMILES

CC1=CC(=C(N1C2=C(C3=C(S2)CCCC3)C#N)C)C=NNC(=O)C4=CC(=CC=C4)NC(=O)C

InChI

InChI=1S/C25H25N5O2S/c1-15-11-19(14-27-29-24(32)18-7-6-8-20(12-18)28-17(3)31)16(2)30(15)25-22(13-26)21-9-4-5-10-23(21)33-25/h6-8,11-12,14H,4-5,9-10H2,1-3H3,(H,28,31)(H,29,32)