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

Systemtic Name: N-[3-[(4-methyl-1,3-benzothiazol-2-yl)amino]-3-oxidanylidene-propyl]-4-nitro-benzamide Openeye Name: N-[3-[(4-methyl-1,3-benzothiazol-2-yl)amino]-3-oxo-propyl]-4-nitro-benzamide CAS Name: N-[3-[(4-methyl-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]-4-nitrobenzamide IUPAC Name: N-[3-[(4-methyl-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]-4-nitrobenzamide Traditional Name: N-[3-keto-3-[(4-methyl-1,3-benzothiazol-2-yl)amino]propyl]-4-nitro-benzamide Formula: C18H16N4O4S MolecularWeight: 384.40904

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N4O4S/c1-11-3-2-4-14-16(11)21-18(27-14)20-15(23)9-10-19-17(24)12-5-7-13(8-6-12)22(25)26/h2-8H,9-10H2,1H3,(H,19,24)(H,20,21,23)