1-[[2-oxidanylidene-4-[3-(phenylmethyl)pyridin-1-ium-1-yl]-1,3-thiazol-5-ylidene]methylamino]-3-phenyl-thiourea

Systemtic Name: 1-[[2-oxidanylidene-4-[3-(phenylmethyl)pyridin-1-ium-1-yl]-1,3-thiazol-5-ylidene]methylamino]-3-phenyl-thiourea Openeye Name: 1-[[4-(3-benzylpyridin-1-ium-1-yl)-2-oxo-thiazol-5-ylidene]methylamino]-3-phenyl-thiourea CAS Name: 1-[[2-oxo-4-[3-(phenylmethyl)-1-pyridin-1-iumyl]-5-thiazolylidene]methylamino]-3-phenylthiourea IUPAC Name: 1-[[4-(3-benzylpyridin-1-ium-1-yl)-2-oxo-1,3-thiazol-5-ylidene]methylamino]-3-phenylthiourea Traditional Name: 1-[[4-(3-benzylpyridin-1-ium-1-yl)-2-keto-3-thiazolin-5-ylidene]methylamino]-3-phenyl-thiourea Formula: C23H20N5OS2+ MolecularWeight: 446.5678

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=C[N+](=CC=C2)C3=NC(=O)SC3=CNNC(=S)NC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CC2=C[N+](=CC=C2)C3=NC(=O)SC3=CNNC(=S)NC4=CC=CC=C4

InChI

InChI=1S/C23H19N5OS2/c29-23-26-21(28-13-7-10-18(16-28)14-17-8-3-1-4-9-17)20(31-23)15-24-27-22(30)25-19-11-5-2-6-12-19/h1-13,15-16H,14H2,(H2-,24,25,26,27,29,30)/p+1