[4-azanyl-3-(3-methylphenyl)-2-sulfanylidene-1,3-thiazol-5-yl]-(4-methylpiperazin-4-ium-1-yl)methanone

Systemtic Name: [4-azanyl-3-(3-methylphenyl)-2-sulfanylidene-1,3-thiazol-5-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Openeye Name: [4-amino-3-(m-tolyl)-2-thioxo-thiazol-5-yl]-(4-methylpiperazin-4-ium-1-yl)methanone CAS Name: [4-amino-3-(3-methylphenyl)-2-sulfanylidene-5-thiazolyl]-(4-methyl-1-piperazin-4-iumyl)methanone IUPAC Name: [4-amino-3-(3-methylphenyl)-2-sulfanylidene-1,3-thiazol-5-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Traditional Name: [4-amino-3-(m-tolyl)-2-thioxo-4-thiazolin-5-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Formula: C16H21N4OS2+ MolecularWeight: 349.49414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=C(SC2=S)C(=O)N3CC[NH+](CC3)C)N

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=C(SC2=S)C(=O)N3CC[NH+](CC3)C)N

InChI

InChI=1S/C16H20N4OS2/c1-11-4-3-5-12(10-11)20-14(17)13(23-16(20)22)15(21)19-8-6-18(2)7-9-19/h3-5,10H,6-9,17H2,1-2H3/p+1