1-[[1-naphthalen-1-yl-2,4,6-tris(oxidanylidene)-1,3-diazinan-5-ylidene]methylamino]-3-phenyl-thiourea

Systemtic Name: 1-[[1-naphthalen-1-yl-2,4,6-tris(oxidanylidene)-1,3-diazinan-5-ylidene]methylamino]-3-phenyl-thiourea Openeye Name: 1-[[1-(1-naphthyl)-2,4,6-trioxo-hexahydropyrimidin-5-ylidene]methylamino]-3-phenyl-thiourea CAS Name: 1-[[1-(1-naphthalenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methylamino]-3-phenylthiourea IUPAC Name: 1-[(1-naphthalen-1-yl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methylamino]-3-phenylthiourea Traditional Name: 1-phenyl-3-[[2,4,6-triketo-1-(1-naphthyl)hexahydropyrimidin-5-ylidene]methylamino]thiourea Formula: C22H17N5O3S MolecularWeight: 431.46708

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=S)NNC=C2C(=O)NC(=O)N(C2=O)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

C1=CC=C(C=C1)NC(=S)NNC=C2C(=O)NC(=O)N(C2=O)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C22H17N5O3S/c28-19-17(13-23-26-21(31)24-15-9-2-1-3-10-15)20(29)27(22(30)25-19)18-12-6-8-14-7-4-5-11-16(14)18/h1-13,23H,(H2,24,26,31)(H,25,28,30)