1-[[2-(1,3-benzothiazol-2-ylsulfanyl)-4-oxidanylidene-pyrido[1,2-a]pyrimidin-5-ium-3-ylidene]methylamino]-3-phenyl-thiourea

Systemtic Name: 1-[[2-(1,3-benzothiazol-2-ylsulfanyl)-4-oxidanylidene-pyrido[1,2-a]pyrimidin-5-ium-3-ylidene]methylamino]-3-phenyl-thiourea Openeye Name: 1-[[2-(1,3-benzothiazol-2-ylsulfanyl)-4-oxo-pyrido[1,2-a]pyrimidin-5-ium-3-ylidene]methylamino]-3-phenyl-thiourea CAS Name: 1-[[2-(1,3-benzothiazol-2-ylthio)-4-oxo-3-pyrido[1,2-a]pyrimidin-5-iumylidene]methylamino]-3-phenylthiourea IUPAC Name: 1-[[2-(1,3-benzothiazol-2-ylsulfanyl)-4-oxopyrido[1,2-a]pyrimidin-5-ium-3-ylidene]methylamino]-3-phenylthiourea Traditional Name: 1-[[2-(1,3-benzothiazol-2-ylthio)-4-keto-pyrido[1,2-a]pyrimidin-5-ium-3-ylidene]methylamino]-3-phenyl-thiourea Formula: C23H17N6OS3+ MolecularWeight: 489.61568

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=S)NNC=C2C(=NC3=CC=CC=[N+]3C2=O)SC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1=CC=C(C=C1)NC(=S)NNC=C2C(=NC3=CC=CC=[N+]3C2=O)SC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C23H16N6OS3/c30-21-16(14-24-28-22(31)25-15-8-2-1-3-9-15)20(27-19-12-6-7-13-29(19)21)33-23-26-17-10-4-5-11-18(17)32-23/h1-14H,(H2,25,28,31)/p+1