N-cyclohexyl-2-[(E)-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: N-cyclohexyl-2-[(E)-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: N-cyclohexyl-2-[(E)-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)methyleneamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: N-cyclohexyl-2-[(E)-(2,5-dimethyl-1-phenyl-3-pyrrolyl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: N-cyclohexyl-2-[(E)-(2,5-dimethyl-1-phenylpyrrol-3-yl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: N-cyclohexyl-2-[(E)-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)methyleneamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C28H33N3OS MolecularWeight: 459.64612

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC=C2)C)C=NC3=C(C4=C(S3)CCCC4)C(=O)NC5CCCCC5

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC=C2)C)/C=N/C3=C(C4=C(S3)CCCC4)C(=O)NC5CCCCC5

InChI

InChI=1S/C28H33N3OS/c1-19-17-21(20(2)31(19)23-13-7-4-8-14-23)18-29-28-26(24-15-9-10-16-25(24)33-28)27(32)30-22-11-5-3-6-12-22/h4,7-8,13-14,17-18,22H,3,5-6,9-12,15-16H2,1-2H3,(H,30,32)/b29-18+