N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-5-nitro-N-(phenylmethyl)thiophene-2-carboxamide

Systemtic Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-5-nitro-N-(phenylmethyl)thiophene-2-carboxamide Openeye Name: N-benzyl-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-5-nitro-thiophene-2-carboxamide CAS Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-5-nitro-N-(phenylmethyl)-2-thiophenecarboxamide IUPAC Name: N-benzyl-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-5-nitrothiophene-2-carboxamide Traditional Name: N-benzyl-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-5-nitro-thiophene-2-carboxamide Formula: C21H17N3O3S2 MolecularWeight: 423.50798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)SC(=N2)N(CC3=CC=CC=C3)C(=O)C4=CC=C(S4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1C)SC(=N2)N(CC3=CC=CC=C3)C(=O)C4=CC=C(S4)[N+](=O)[O-]

InChI

InChI=1S/C21H17N3O3S2/c1-13-10-16-18(11-14(13)2)29-21(22-16)23(12-15-6-4-3-5-7-15)20(25)17-8-9-19(28-17)24(26)27/h3-11H,12H2,1-2H3