N-(2-diethylaminoethyl)-3-methoxy-5-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: N-(2-diethylaminoethyl)-3-methoxy-5-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-(2-diethylaminoethyl)-3-methoxy-5-nitro-benzothiophene-2-carboxamide CAS Name: N-(2-diethylaminoethyl)-3-methoxy-5-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-(2-diethylaminoethyl)-3-methoxy-5-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-(2-diethylaminoethyl)-3-methoxy-5-nitro-benzothiophene-2-carboxamide Formula: C16H21N3O4S MolecularWeight: 351.42064

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC(=O)C1=C(C2=C(S1)C=CC(=C2)[N+](=O)[O-])OC

Isomeric SMILES

CCN(CC)CCNC(=O)C1=C(C2=C(S1)C=CC(=C2)[N+](=O)[O-])OC

InChI

InChI=1S/C16H21N3O4S/c1-4-18(5-2)9-8-17-16(20)15-14(23-3)12-10-11(19(21)22)6-7-13(12)24-15/h6-7,10H,4-5,8-9H2,1-3H3,(H,17,20)