N-[3-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethylamino]-3-oxidanylidene-propyl]-4-nitro-benzamide

Systemtic Name: N-[3-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethylamino]-3-oxidanylidene-propyl]-4-nitro-benzamide Openeye Name: N-[3-[2-[4-(2-methylthiazol-4-yl)phenyl]ethylamino]-3-oxo-propyl]-4-nitro-benzamide CAS Name: N-[3-[2-[4-(2-methyl-4-thiazolyl)phenyl]ethylamino]-3-oxopropyl]-4-nitrobenzamide IUPAC Name: N-[3-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethylamino]-3-oxopropyl]-4-nitrobenzamide Traditional Name: N-[3-keto-3-[2-[4-(2-methylthiazol-4-yl)phenyl]ethylamino]propyl]-4-nitro-benzamide Formula: C22H22N4O4S MolecularWeight: 438.49948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)C2=CC=C(C=C2)CCNC(=O)CCNC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=CS1)C2=CC=C(C=C2)CCNC(=O)CCNC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H22N4O4S/c1-15-25-20(14-31-15)17-4-2-16(3-5-17)10-12-23-21(27)11-13-24-22(28)18-6-8-19(9-7-18)26(29)30/h2-9,14H,10-13H2,1H3,(H,23,27)(H,24,28)