N-(4-methyl-1,3-benzothiazol-2-yl)-4-[(4-nitrophenoxy)methyl]thiophene-2-carboxamide

Systemtic Name: N-(4-methyl-1,3-benzothiazol-2-yl)-4-[(4-nitrophenoxy)methyl]thiophene-2-carboxamide Openeye Name: N-(4-methyl-1,3-benzothiazol-2-yl)-4-[(4-nitrophenoxy)methyl]thiophene-2-carboxamide CAS Name: N-(4-methyl-1,3-benzothiazol-2-yl)-4-[(4-nitrophenoxy)methyl]-2-thiophenecarboxamide IUPAC Name: N-(4-methyl-1,3-benzothiazol-2-yl)-4-[(4-nitrophenoxy)methyl]thiophene-2-carboxamide Traditional Name: N-(4-methyl-1,3-benzothiazol-2-yl)-4-[(4-nitrophenoxy)methyl]thiophene-2-carboxamide Formula: C20H15N3O4S2 MolecularWeight: 425.4808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)NC(=O)C3=CC(=CS3)COC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)NC(=O)C3=CC(=CS3)COC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H15N3O4S2/c1-12-3-2-4-16-18(12)21-20(29-16)22-19(24)17-9-13(11-28-17)10-27-15-7-5-14(6-8-15)23(25)26/h2-9,11H,10H2,1H3,(H,21,22,24)