N-[(2-methyl-4-piperidin-1-yl-phenyl)methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: N-[(2-methyl-4-piperidin-1-yl-phenyl)methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-[[2-methyl-4-(1-piperidyl)phenyl]methyleneamino]-5-nitro-benzothiophene-2-carboxamide CAS Name: N-[[2-methyl-4-(1-piperidinyl)phenyl]methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-[(2-methyl-4-piperidin-1-ylphenyl)methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-[(2-methyl-4-piperidino-benzylidene)amino]-5-nitro-benzothiophene-2-carboxamide Formula: C22H22N4O3S MolecularWeight: 422.50008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CCCCC2)C=NNC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)N2CCCCC2)C=NNC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H22N4O3S/c1-15-11-18(25-9-3-2-4-10-25)6-5-16(15)14-23-24-22(27)21-13-17-12-19(26(28)29)7-8-20(17)30-21/h5-8,11-14H,2-4,9-10H2,1H3,(H,24,27)