4-[2-(4-methyl-1,3-thiazol-2-yl)ethanoyl]-N-(4-nitrophenyl)piperazine-1-carbothioamide

Systemtic Name: 4-[2-(4-methyl-1,3-thiazol-2-yl)ethanoyl]-N-(4-nitrophenyl)piperazine-1-carbothioamide Openeye Name: 4-[2-(4-methylthiazol-2-yl)acetyl]-N-(4-nitrophenyl)piperazine-1-carbothioamide CAS Name: 4-[2-(4-methyl-2-thiazolyl)-1-oxoethyl]-N-(4-nitrophenyl)-1-piperazinecarbothioamide IUPAC Name: 4-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]-N-(4-nitrophenyl)piperazine-1-carbothioamide Traditional Name: 4-[2-(4-methylthiazol-2-yl)acetyl]-N-(4-nitrophenyl)piperazine-1-carbothioamide Formula: C17H19N5O3S2 MolecularWeight: 405.49446

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)CC(=O)N2CCN(CC2)C(=S)NC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CSC(=N1)CC(=O)N2CCN(CC2)C(=S)NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H19N5O3S2/c1-12-11-27-15(18-12)10-16(23)20-6-8-21(9-7-20)17(26)19-13-2-4-14(5-3-13)22(24)25/h2-5,11H,6-10H2,1H3,(H,19,26)