1-[[1-(4-methoxyphenyl)-4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methylamino]-3-phenyl-thiourea

Systemtic Name: 1-[[1-(4-methoxyphenyl)-4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methylamino]-3-phenyl-thiourea Openeye Name: 1-[[1-(4-methoxyphenyl)-4,6-dioxo-2-thioxo-hexahydropyrimidin-5-ylidene]methylamino]-3-phenyl-thiourea CAS Name: 1-[[1-(4-methoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methylamino]-3-phenylthiourea IUPAC Name: 1-[[1-(4-methoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methylamino]-3-phenylthiourea Traditional Name: 1-[[4,6-diketo-1-(4-methoxyphenyl)-2-thioxo-hexahydropyrimidin-5-ylidene]methylamino]-3-phenyl-thiourea Formula: C19H17N5O3S2 MolecularWeight: 427.49998

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=O)C(=CNNC(=S)NC3=CC=CC=C3)C(=O)NC2=S

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=O)C(=CNNC(=S)NC3=CC=CC=C3)C(=O)NC2=S

InChI

InChI=1S/C19H17N5O3S2/c1-27-14-9-7-13(8-10-14)24-17(26)15(16(25)22-19(24)29)11-20-23-18(28)21-12-5-3-2-4-6-12/h2-11,20H,1H3,(H2,21,23,28)(H,22,25,29)