N-cyclopropyl-4-(4-ethanoylphenyl)sulfonyl-piperazine-1-carbothioamide

Systemtic Name: N-cyclopropyl-4-(4-ethanoylphenyl)sulfonyl-piperazine-1-carbothioamide Openeye Name: 4-(4-acetylphenyl)sulfonyl-N-cyclopropyl-piperazine-1-carbothioamide CAS Name: 4-(4-acetylphenyl)sulfonyl-N-cyclopropyl-1-piperazinecarbothioamide IUPAC Name: 4-(4-acetylphenyl)sulfonyl-N-cyclopropylpiperazine-1-carbothioamide Traditional Name: 4-(4-acetylphenyl)sulfonyl-N-cyclopropyl-piperazine-1-carbothioamide Formula: C16H21N3O3S2 MolecularWeight: 367.48624

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NC3CC3

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NC3CC3

InChI

InChI=1S/C16H21N3O3S2/c1-12(20)13-2-6-15(7-3-13)24(21,22)19-10-8-18(9-11-19)16(23)17-14-4-5-14/h2-3,6-7,14H,4-5,8-11H2,1H3,(H,17,23)