1-(3-ethylphenyl)-3-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]thiourea

Systemtic Name: 1-(3-ethylphenyl)-3-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]thiourea Openeye Name: 1-(3-ethylphenyl)-3-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]thiourea CAS Name: 1-(3-ethylphenyl)-3-[4-(4-methyl-1-piperazin-4-iumyl)phenyl]thiourea IUPAC Name: 1-(3-ethylphenyl)-3-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]thiourea Traditional Name: 1-(3-ethylphenyl)-3-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]thiourea Formula: C20H27N4S+ MolecularWeight: 355.52018

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)NC(=S)NC2=CC=C(C=C2)N3CC[NH+](CC3)C

Isomeric SMILES

CCC1=CC(=CC=C1)NC(=S)NC2=CC=C(C=C2)N3CC[NH+](CC3)C

InChI

InChI=1S/C20H26N4S/c1-3-16-5-4-6-18(15-16)22-20(25)21-17-7-9-19(10-8-17)24-13-11-23(2)12-14-24/h4-10,15H,3,11-14H2,1-2H3,(H2,21,22,25)/p+1