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

Systemtic Name: 1-[[1-hexyl-2,4,6-tris(oxidanylidene)-1,3-diazinan-5-ylidene]methylamino]-3-phenyl-thiourea Openeye Name: 1-[(1-hexyl-2,4,6-trioxo-hexahydropyrimidin-5-ylidene)methylamino]-3-phenyl-thiourea CAS Name: 1-[(1-hexyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methylamino]-3-phenylthiourea IUPAC Name: 1-[(1-hexyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methylamino]-3-phenylthiourea Traditional Name: 1-[(1-hexyl-2,4,6-triketo-hexahydropyrimidin-5-ylidene)methylamino]-3-phenyl-thiourea Formula: C18H23N5O3S MolecularWeight: 389.47192

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C(=CNNC(=S)NC2=CC=CC=C2)C(=O)NC1=O

Isomeric SMILES

CCCCCCN1C(=O)C(=CNNC(=S)NC2=CC=CC=C2)C(=O)NC1=O

InChI

InChI=1S/C18H23N5O3S/c1-2-3-4-8-11-23-16(25)14(15(24)21-18(23)26)12-19-22-17(27)20-13-9-6-5-7-10-13/h5-7,9-10,12,19H,2-4,8,11H2,1H3,(H2,20,22,27)(H,21,24,26)