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

Systemtic Name: 1-[[1-cycloheptyl-2,4,6-tris(oxidanylidene)-1,3-diazinan-5-ylidene]methylamino]-3-phenyl-thiourea Openeye Name: 1-[(1-cycloheptyl-2,4,6-trioxo-hexahydropyrimidin-5-ylidene)methylamino]-3-phenyl-thiourea CAS Name: 1-[(1-cycloheptyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methylamino]-3-phenylthiourea IUPAC Name: 1-[(1-cycloheptyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methylamino]-3-phenylthiourea Traditional Name: 1-[(1-cycloheptyl-2,4,6-triketo-hexahydropyrimidin-5-ylidene)methylamino]-3-phenyl-thiourea Formula: C19H23N5O3S MolecularWeight: 401.48262

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)N2C(=O)C(=CNNC(=S)NC3=CC=CC=C3)C(=O)NC2=O

Isomeric SMILES

C1CCCC(CC1)N2C(=O)C(=CNNC(=S)NC3=CC=CC=C3)C(=O)NC2=O

InChI

InChI=1S/C19H23N5O3S/c25-16-15(12-20-23-18(28)21-13-8-4-3-5-9-13)17(26)24(19(27)22-16)14-10-6-1-2-7-11-14/h3-5,8-9,12,14,20H,1-2,6-7,10-11H2,(H2,21,23,28)(H,22,25,27)