N-[3-(3,4-dihydro-2H-thiochromen-4-ylamino)-3-oxidanylidene-propyl]-4-nitro-benzamide

Systemtic Name: N-[3-(3,4-dihydro-2H-thiochromen-4-ylamino)-3-oxidanylidene-propyl]-4-nitro-benzamide Openeye Name: 4-nitro-N-[3-oxo-3-(thiochroman-4-ylamino)propyl]benzamide CAS Name: N-[3-(3,4-dihydro-2H-1-benzothiopyran-4-ylamino)-3-oxopropyl]-4-nitrobenzamide IUPAC Name: N-[3-(3,4-dihydro-2H-thiochromen-4-ylamino)-3-oxopropyl]-4-nitrobenzamide Traditional Name: N-[3-keto-3-(thiochroman-4-ylamino)propyl]-4-nitro-benzamide Formula: C19H19N3O4S MolecularWeight: 385.43686

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=CC=CC=C2C1NC(=O)CCNC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CSC2=CC=CC=C2C1NC(=O)CCNC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H19N3O4S/c23-18(21-16-10-12-27-17-4-2-1-3-15(16)17)9-11-20-19(24)13-5-7-14(8-6-13)22(25)26/h1-8,16H,9-12H2,(H,20,24)(H,21,23)