N-(2-dimethylaminoethyl)-9-nitro-thianthrene-1-carboxamide

Systemtic Name: N-(2-dimethylaminoethyl)-9-nitro-thianthrene-1-carboxamide Openeye Name: N-(2-dimethylaminoethyl)-9-nitro-thianthrene-1-carboxamide CAS Name: N-(2-dimethylaminoethyl)-9-nitro-1-thianthrenecarboxamide IUPAC Name: N-(2-dimethylaminoethyl)-9-nitrothianthrene-1-carboxamide Traditional Name: N-(2-dimethylaminoethyl)-9-nitro-thianthrene-1-carboxamide Formula: C17H17N3O3S2 MolecularWeight: 375.46518

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCNC(=O)C1=C2C(=CC=C1)SC3=CC=CC(=C3S2)[N+](=O)[O-]

Isomeric SMILES

CN(C)CCNC(=O)C1=C2C(=CC=C1)SC3=CC=CC(=C3S2)[N+](=O)[O-]

InChI

InChI=1S/C17H17N3O3S2/c1-19(2)10-9-18-17(21)11-5-3-7-13-15(11)25-16-12(20(22)23)6-4-8-14(16)24-13/h3-8H,9-10H2,1-2H3,(H,18,21)