N-(4-methyl-1,3-thiazol-2-yl)-4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)-N-phenyl-butanamide

Systemtic Name: N-(4-methyl-1,3-thiazol-2-yl)-4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)-N-phenyl-butanamide Openeye Name: N-(4-methylthiazol-2-yl)-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)-N-phenyl-butanamide CAS Name: N-(4-methyl-2-thiazolyl)-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)-N-phenylbutanamide IUPAC Name: N-(4-methyl-1,3-thiazol-2-yl)-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)-N-phenylbutanamide Traditional Name: 4-(2-keto-6-nitro-1,3-benzoxazol-3-yl)-N-(4-methylthiazol-2-yl)-N-phenyl-butyramide Formula: C21H18N4O5S MolecularWeight: 438.45642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)N(C2=CC=CC=C2)C(=O)CCCN3C4=C(C=C(C=C4)[N+](=O)[O-])OC3=O

Isomeric SMILES

CC1=CSC(=N1)N(C2=CC=CC=C2)C(=O)CCCN3C4=C(C=C(C=C4)[N+](=O)[O-])OC3=O

InChI

InChI=1S/C21H18N4O5S/c1-14-13-31-20(22-14)24(15-6-3-2-4-7-15)19(26)8-5-11-23-17-10-9-16(25(28)29)12-18(17)30-21(23)27/h2-4,6-7,9-10,12-13H,5,8,11H2,1H3