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

Systemtic Name: N-[2-(cyclopropylamino)-2-oxidanylidene-ethyl]-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-benzamide Openeye Name: N-[2-(cyclopropylamino)-2-oxo-ethyl]-4-(4-methylthiazol-2-yl)sulfanyl-3-nitro-benzamide CAS Name: N-[2-(cyclopropylamino)-2-oxoethyl]-4-[(4-methyl-2-thiazolyl)thio]-3-nitrobenzamide IUPAC Name: N-[2-(cyclopropylamino)-2-oxoethyl]-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitrobenzamide Traditional Name: N-[2-(cyclopropylamino)-2-keto-ethyl]-4-[(4-methylthiazol-2-yl)thio]-3-nitro-benzamide Formula: C16H16N4O4S2 MolecularWeight: 392.45264

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)SC2=C(C=C(C=C2)C(=O)NCC(=O)NC3CC3)[N+](=O)[O-]

Isomeric SMILES

CC1=CSC(=N1)SC2=C(C=C(C=C2)C(=O)NCC(=O)NC3CC3)[N+](=O)[O-]

InChI

InChI=1S/C16H16N4O4S2/c1-9-8-25-16(18-9)26-13-5-2-10(6-12(13)20(23)24)15(22)17-7-14(21)19-11-3-4-11/h2,5-6,8,11H,3-4,7H2,1H3,(H,17,22)(H,19,21)