N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-5-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-5-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-[4-(morpholinomethyl)thiazol-2-yl]-5-nitro-benzothiophene-2-carboxamide CAS Name: N-[4-(4-morpholinylmethyl)-2-thiazolyl]-5-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-5-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-[4-(morpholinomethyl)thiazol-2-yl]-5-nitro-benzothiophene-2-carboxamide Formula: C17H16N4O4S2 MolecularWeight: 404.46334

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CC2=CSC(=N2)NC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1CC2=CSC(=N2)NC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C17H16N4O4S2/c22-16(15-8-11-7-13(21(23)24)1-2-14(11)27-15)19-17-18-12(10-26-17)9-20-3-5-25-6-4-20/h1-2,7-8,10H,3-6,9H2,(H,18,19,22)