1-[azanyl-[4-(phenylmethyl)piperazine-1,4-diium-1-ylidene]methyl]-3-phenyl-thiourea

Systemtic Name: 1-[azanyl-[4-(phenylmethyl)piperazine-1,4-diium-1-ylidene]methyl]-3-phenyl-thiourea Openeye Name: 1-[amino-(4-benzylpiperazine-1,4-diium-1-ylidene)methyl]-3-phenyl-thiourea CAS Name: 1-[amino-[4-(phenylmethyl)-1-piperazine-1,4-diiumylidene]methyl]-3-phenylthiourea IUPAC Name: 1-[amino-(4-benzylpiperazine-1,4-diium-1-ylidene)methyl]-3-phenylthiourea Traditional Name: 1-[amino-(4-benzylpiperazine-1,4-diium-1-ylidene)methyl]-3-phenyl-thiourea Formula: C19H25N5S+2 MolecularWeight: 355.5003

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](=C(N)NC(=S)NC2=CC=CC=C2)CC[NH+]1CC3=CC=CC=C3

Isomeric SMILES

C1C[N+](=C(N)NC(=S)NC2=CC=CC=C2)CC[NH+]1CC3=CC=CC=C3

InChI

InChI=1S/C19H23N5S/c20-18(22-19(25)21-17-9-5-2-6-10-17)24-13-11-23(12-14-24)15-16-7-3-1-4-8-16/h1-10H,11-15H2,(H3,20,21,22,25)/p+2