N-[3-(4-carbamothioylpiperazin-1-yl)-3-oxidanylidene-propyl]-3-methyl-benzamide

Systemtic Name: N-[3-(4-carbamothioylpiperazin-1-yl)-3-oxidanylidene-propyl]-3-methyl-benzamide Openeye Name: N-[3-(4-carbamothioylpiperazin-1-yl)-3-oxo-propyl]-3-methyl-benzamide CAS Name: N-[3-(4-carbamothioyl-1-piperazinyl)-3-oxopropyl]-3-methylbenzamide IUPAC Name: N-[3-(4-carbamothioylpiperazin-1-yl)-3-oxopropyl]-3-methylbenzamide Traditional Name: N-[3-keto-3-(4-thiocarbamoylpiperazino)propyl]-3-methyl-benzamide Formula: C16H22N4O2S MolecularWeight: 334.43648

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NCCC(=O)N2CCN(CC2)C(=S)N

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NCCC(=O)N2CCN(CC2)C(=S)N

InChI

InChI=1S/C16H22N4O2S/c1-12-3-2-4-13(11-12)15(22)18-6-5-14(21)19-7-9-20(10-8-19)16(17)23/h2-4,11H,5-10H2,1H3,(H2,17,23)(H,18,22)