1-[azanyl-[4-(phenylmethyl)piperazin-1-ium-1-ylidene]methyl]-3-(4-methoxyphenyl)thiourea

Systemtic Name: 1-[azanyl-[4-(phenylmethyl)piperazin-1-ium-1-ylidene]methyl]-3-(4-methoxyphenyl)thiourea Openeye Name: 1-[amino-(4-benzylpiperazin-1-ium-1-ylidene)methyl]-3-(4-methoxyphenyl)thiourea CAS Name: 1-[amino-[4-(phenylmethyl)-1-piperazin-1-iumylidene]methyl]-3-(4-methoxyphenyl)thiourea IUPAC Name: 1-[amino-(4-benzylpiperazin-1-ium-1-ylidene)methyl]-3-(4-methoxyphenyl)thiourea Traditional Name: 1-[amino-(4-benzylpiperazin-1-ium-1-ylidene)methyl]-3-(4-methoxyphenyl)thiourea Formula: C20H26N5OS+ MolecularWeight: 384.51834

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=S)NC(=[N+]2CCN(CC2)CC3=CC=CC=C3)N

Isomeric SMILES

COC1=CC=C(C=C1)NC(=S)NC(=[N+]2CCN(CC2)CC3=CC=CC=C3)N

InChI

InChI=1S/C20H25N5OS/c1-26-18-9-7-17(8-10-18)22-20(27)23-19(21)25-13-11-24(12-14-25)15-16-5-3-2-4-6-16/h2-10H,11-15H2,1H3,(H3,21,22,23,27)/p+1