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

Systemtic Name: 1-[1-[1-cyclohexyl-2,4,6-tris(oxidanylidene)-1,3-diazinan-5-ylidene]propylamino]-3-phenyl-thiourea Openeye Name: 1-[1-(1-cyclohexyl-2,4,6-trioxo-hexahydropyrimidin-5-ylidene)propylamino]-3-phenyl-thiourea CAS Name: 1-[1-(1-cyclohexyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)propylamino]-3-phenylthiourea IUPAC Name: 1-[1-(1-cyclohexyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)propylamino]-3-phenylthiourea Traditional Name: 1-[1-(1-cyclohexyl-2,4,6-triketo-hexahydropyrimidin-5-ylidene)propylamino]-3-phenyl-thiourea Formula: C20H25N5O3S MolecularWeight: 415.5092

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C1C(=O)NC(=O)N(C1=O)C2CCCCC2)NNC(=S)NC3=CC=CC=C3

Isomeric SMILES

CCC(=C1C(=O)NC(=O)N(C1=O)C2CCCCC2)NNC(=S)NC3=CC=CC=C3

InChI

InChI=1S/C20H25N5O3S/c1-2-15(23-24-19(29)21-13-9-5-3-6-10-13)16-17(26)22-20(28)25(18(16)27)14-11-7-4-8-12-14/h3,5-6,9-10,14,23H,2,4,7-8,11-12H2,1H3,(H2,21,24,29)(H,22,26,28)