N-(3-imidazol-1-ylphenyl)-1,1-bis(oxidanylidene)-2,3-dihydro-1$l^{6}-benzothiepine-4-carboxamide

Systemtic Name: N-(3-imidazol-1-ylphenyl)-1,1-bis(oxidanylidene)-2,3-dihydro-1$l^{6}-benzothiepine-4-carboxamide Openeye Name: N-(3-imidazol-1-ylphenyl)-1,1-dioxo-2,3-dihydro-1$l^{6}-benzothiepine-4-carboxamide CAS Name: N-[3-(1-imidazolyl)phenyl]-1,1-dioxo-2,3-dihydro-1$l^{6}-benzothiepin-4-carboxamide IUPAC Name: N-(3-imidazol-1-ylphenyl)-1,1-dioxo-2,3-dihydro-1$l^{6}-benzothiepine-4-carboxamide Traditional Name: N-(3-imidazol-1-ylphenyl)-1,1-diketo-2,3-dihydro-1$l^{6}-benzothiepin-4-carboxamide Formula: C20H17N3O3S MolecularWeight: 379.43228

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)C2=CC=CC=C2C=C1C(=O)NC3=CC=CC(=C3)N4C=CN=C4

Isomeric SMILES

C1CS(=O)(=O)C2=CC=CC=C2C=C1C(=O)NC3=CC=CC(=C3)N4C=CN=C4

InChI

InChI=1S/C20H17N3O3S/c24-20(22-17-5-3-6-18(13-17)23-10-9-21-14-23)16-8-11-27(25,26)19-7-2-1-4-15(19)12-16/h1-7,9-10,12-14H,8,11H2,(H,22,24)