N-[[5-(azepan-1-yl)furan-2-yl]methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: N-[[5-(azepan-1-yl)furan-2-yl]methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-[[5-(azepan-1-yl)-2-furyl]methyleneamino]-5-nitro-benzothiophene-2-carboxamide CAS Name: N-[[5-(1-azepanyl)-2-furanyl]methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-[[5-(azepan-1-yl)furan-2-yl]methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-[[5-(azepan-1-yl)-2-furyl]methyleneamino]-5-nitro-benzothiophene-2-carboxamide Formula: C20H20N4O4S MolecularWeight: 412.4622

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC=C(O2)C=NNC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=CC=C(O2)C=NNC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O4S/c25-20(18-12-14-11-15(24(26)27)5-7-17(14)29-18)22-21-13-16-6-8-19(28-16)23-9-3-1-2-4-10-23/h5-8,11-13H,1-4,9-10H2,(H,22,25)