N-(1,3-benzodioxol-5-ylmethyl)-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-benzamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-benzamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(4-methylthiazol-2-yl)sulfanyl-3-nitro-benzamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[(4-methyl-2-thiazolyl)thio]-3-nitrobenzamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitrobenzamide Traditional Name: 4-[(4-methylthiazol-2-yl)thio]-3-nitro-N-piperonyl-benzamide Formula: C19H15N3O5S2 MolecularWeight: 429.4695

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)SC2=C(C=C(C=C2)C(=O)NCC3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

Isomeric SMILES

CC1=CSC(=N1)SC2=C(C=C(C=C2)C(=O)NCC3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

InChI

InChI=1S/C19H15N3O5S2/c1-11-9-28-19(21-11)29-17-5-3-13(7-14(17)22(24)25)18(23)20-8-12-2-4-15-16(6-12)27-10-26-15/h2-7,9H,8,10H2,1H3,(H,20,23)