1-(4-methyl-2-oxidanylidene-chromen-7-yl)-3-(4-methylpiperazin-4-ium-1-yl)thiourea

Systemtic Name: 1-(4-methyl-2-oxidanylidene-chromen-7-yl)-3-(4-methylpiperazin-4-ium-1-yl)thiourea Openeye Name: 1-(4-methyl-2-oxo-chromen-7-yl)-3-(4-methylpiperazin-4-ium-1-yl)thiourea CAS Name: 1-(4-methyl-2-oxo-1-benzopyran-7-yl)-3-(4-methyl-1-piperazin-4-iumyl)thiourea IUPAC Name: 1-(4-methyl-2-oxochromen-7-yl)-3-(4-methylpiperazin-4-ium-1-yl)thiourea Traditional Name: 1-(2-keto-4-methyl-chromen-7-yl)-3-(4-methylpiperazin-4-ium-1-yl)thiourea Formula: C16H21N4O2S+ MolecularWeight: 333.42854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)NC(=S)NN3CC[NH+](CC3)C

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)NC(=S)NN3CC[NH+](CC3)C

InChI

InChI=1S/C16H20N4O2S/c1-11-9-15(21)22-14-10-12(3-4-13(11)14)17-16(23)18-20-7-5-19(2)6-8-20/h3-4,9-10H,5-8H2,1-2H3,(H2,17,18,23)/p+1