1-[4-[(2S)-butan-2-yl]phenyl]-3-(4-methylpiperazin-4-ium-1-yl)thiourea

Systemtic Name: 1-[4-[(2S)-butan-2-yl]phenyl]-3-(4-methylpiperazin-4-ium-1-yl)thiourea Openeye Name: 1-(4-methylpiperazin-4-ium-1-yl)-3-[4-[(1S)-1-methylpropyl]phenyl]thiourea CAS Name: 1-[4-[(2S)-butan-2-yl]phenyl]-3-(4-methyl-1-piperazin-4-iumyl)thiourea IUPAC Name: 1-[4-[(2S)-butan-2-yl]phenyl]-3-(4-methylpiperazin-4-ium-1-yl)thiourea Traditional Name: 1-(4-methylpiperazin-4-ium-1-yl)-3-[4-[(1S)-1-methylpropyl]phenyl]thiourea Formula: C16H27N4S+ MolecularWeight: 307.47738

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)NC(=S)NN2CC[NH+](CC2)C

Isomeric SMILES

CC[C@H](C)C1=CC=C(C=C1)NC(=S)NN2CC[NH+](CC2)C

InChI

InChI=1S/C16H26N4S/c1-4-13(2)14-5-7-15(8-6-14)17-16(21)18-20-11-9-19(3)10-12-20/h5-8,13H,4,9-12H2,1-3H3,(H2,17,18,21)/p+1/t13-/m0/s1