1-[[2-oxidanylidene-1-(piperidin-1-ium-1-ylmethyl)indol-3-ylidene]amino]thiourea

Systemtic Name: 1-[[2-oxidanylidene-1-(piperidin-1-ium-1-ylmethyl)indol-3-ylidene]amino]thiourea Openeye Name: [[2-oxo-1-(piperidin-1-ium-1-ylmethyl)indolin-3-ylidene]amino]thiourea CAS Name: [[2-oxo-1-(1-piperidin-1-iumylmethyl)-3-indolylidene]amino]thiourea IUPAC Name: [[2-oxo-1-(piperidin-1-ium-1-ylmethyl)indol-3-ylidene]amino]thiourea Traditional Name: [[2-keto-1-(piperidin-1-ium-1-ylmethyl)indolin-3-ylidene]amino]thiourea Formula: C15H20N5OS+ MolecularWeight: 318.4172

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CN2C3=CC=CC=C3C(=NNC(=S)N)C2=O

Isomeric SMILES

C1CC[NH+](CC1)CN2C3=CC=CC=C3C(=NNC(=S)N)C2=O

InChI

InChI=1S/C15H19N5OS/c16-15(22)18-17-13-11-6-2-3-7-12(11)20(14(13)21)10-19-8-4-1-5-9-19/h2-3,6-7H,1,4-5,8-10H2,(H3,16,18,22)/p+1