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

Systemtic Name: 4-acetamido-N-[[1-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2,5-dimethyl-pyrrol-3-yl]methylideneamino]benzamide Openeye Name: 4-acetamido-N-[[1-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2,5-dimethyl-pyrrol-3-yl]methyleneamino]benzamide CAS Name: 4-acetamido-N-[[1-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2,5-dimethyl-3-pyrrolyl]methylideneamino]benzamide IUPAC Name: 4-acetamido-N-[[1-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2,5-dimethylpyrrol-3-yl]methylideneamino]benzamide Traditional Name: 4-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=C(C=C4)NC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C25H25N5O2S/c1-15-12-19(14-27-29-24(32)18-8-10-20(11-9-18)28-17(3)31)16(2)30(15)25-22(13-26)21-6-4-5-7-23(21)33-25/h8-12,14H,4-7H2,1-3H3,(H,28,31)(H,29,32)