N-(3,4-dihydro-2H-thiochromen-4-yl)-4-(ethylamino)-3-nitro-benzamide

Systemtic Name: N-(3,4-dihydro-2H-thiochromen-4-yl)-4-(ethylamino)-3-nitro-benzamide Openeye Name: 4-(ethylamino)-3-nitro-N-thiochroman-4-yl-benzamide CAS Name: N-(3,4-dihydro-2H-1-benzothiopyran-4-yl)-4-(ethylamino)-3-nitrobenzamide IUPAC Name: N-(3,4-dihydro-2H-thiochromen-4-yl)-4-(ethylamino)-3-nitrobenzamide Traditional Name: 4-(ethylamino)-3-nitro-N-thiochroman-4-yl-benzamide Formula: C18H19N3O3S MolecularWeight: 357.42676

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C=C(C=C1)C(=O)NC2CCSC3=CC=CC=C23)[N+](=O)[O-]

Isomeric SMILES

CCNC1=C(C=C(C=C1)C(=O)NC2CCSC3=CC=CC=C23)[N+](=O)[O-]

InChI

InChI=1S/C18H19N3O3S/c1-2-19-15-8-7-12(11-16(15)21(23)24)18(22)20-14-9-10-25-17-6-4-3-5-13(14)17/h3-8,11,14,19H,2,9-10H2,1H3,(H,20,22)