N-[3-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-3-oxidanylidene-propyl]-4-nitro-benzamide

Systemtic Name: N-[3-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-3-oxidanylidene-propyl]-4-nitro-benzamide Openeye Name: N-[3-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-3-oxo-propyl]-4-nitro-benzamide CAS Name: N-[3-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-3-oxopropyl]-4-nitrobenzamide IUPAC Name: N-[3-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-3-oxopropyl]-4-nitrobenzamide Traditional Name: N-[3-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-3-keto-propyl]-4-nitro-benzamide Formula: C19H18N4O4S MolecularWeight: 398.43562

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=NC2=CC=CC=C2S1)C(=O)CCNC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CN(CC1=NC2=CC=CC=C2S1)C(=O)CCNC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H18N4O4S/c1-22(12-17-21-15-4-2-3-5-16(15)28-17)18(24)10-11-20-19(25)13-6-8-14(9-7-13)23(26)27/h2-9H,10-12H2,1H3,(H,20,25)