N-[2-(2-methylpropanoylamino)ethyl]-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-benzamide

Systemtic Name: N-[2-(2-methylpropanoylamino)ethyl]-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-benzamide Openeye Name: N-[2-(2-methylpropanoylamino)ethyl]-4-(4-methylthiazol-2-yl)sulfanyl-3-nitro-benzamide CAS Name: N-[2-[(2-methyl-1-oxopropyl)amino]ethyl]-4-[(4-methyl-2-thiazolyl)thio]-3-nitrobenzamide IUPAC Name: N-[2-(2-methylpropanoylamino)ethyl]-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitrobenzamide Traditional Name: N-[2-(isobutyrylamino)ethyl]-4-[(4-methylthiazol-2-yl)thio]-3-nitro-benzamide Formula: C17H20N4O4S2 MolecularWeight: 408.4951

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)SC2=C(C=C(C=C2)C(=O)NCCNC(=O)C(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CSC(=N1)SC2=C(C=C(C=C2)C(=O)NCCNC(=O)C(C)C)[N+](=O)[O-]

InChI

InChI=1S/C17H20N4O4S2/c1-10(2)15(22)18-6-7-19-16(23)12-4-5-14(13(8-12)21(24)25)27-17-20-11(3)9-26-17/h4-5,8-10H,6-7H2,1-3H3,(H,18,22)(H,19,23)