1-phenyl-3-[3-[4-[3-(phenylcarbamothioylamino)propyl]piperazin-1-ium-1-yl]propyl]thiourea

Systemtic Name: 1-phenyl-3-[3-[4-[3-(phenylcarbamothioylamino)propyl]piperazin-1-ium-1-yl]propyl]thiourea Openeye Name: 1-phenyl-3-[3-[4-[3-(phenylcarbamothioylamino)propyl]piperazin-1-ium-1-yl]propyl]thiourea CAS Name: 1-[3-[4-[3-[[anilino(sulfanylidene)methyl]amino]propyl]-1-piperazin-1-iumyl]propyl]-3-phenylthiourea IUPAC Name: 1-phenyl-3-[3-[4-[3-(phenylcarbamothioylamino)propyl]piperazin-1-ium-1-yl]propyl]thiourea Traditional Name: 1-phenyl-3-[3-[4-[3-(phenylthiocarbamoylamino)propyl]piperazin-1-ium-1-yl]propyl]thiourea Formula: C24H35N6S2+ MolecularWeight: 471.7049

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCCNC(=S)NC2=CC=CC=C2)CCCNC(=S)NC3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CCCNC(=S)NC2=CC=CC=C2)CCCNC(=S)NC3=CC=CC=C3

InChI

InChI=1S/C24H34N6S2/c31-23(27-21-9-3-1-4-10-21)25-13-7-15-29-17-19-30(20-18-29)16-8-14-26-24(32)28-22-11-5-2-6-12-22/h1-6,9-12H,7-8,13-20H2,(H2,25,27,31)(H2,26,28,32)/p+1