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

Systemtic Name: 1-[[1-butyl-4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methylamino]-3-phenyl-thiourea Openeye Name: 1-[(1-butyl-4,6-dioxo-2-thioxo-hexahydropyrimidin-5-ylidene)methylamino]-3-phenyl-thiourea CAS Name: 1-[(1-butyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methylamino]-3-phenylthiourea IUPAC Name: 1-[(1-butyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methylamino]-3-phenylthiourea Traditional Name: 1-[(1-butyl-4,6-diketo-2-thioxo-hexahydropyrimidin-5-ylidene)methylamino]-3-phenyl-thiourea Formula: C16H19N5O2S2 MolecularWeight: 377.48436

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C(=CNNC(=S)NC2=CC=CC=C2)C(=O)NC1=S

Isomeric SMILES

CCCCN1C(=O)C(=CNNC(=S)NC2=CC=CC=C2)C(=O)NC1=S

InChI

InChI=1S/C16H19N5O2S2/c1-2-3-9-21-14(23)12(13(22)19-16(21)25)10-17-20-15(24)18-11-7-5-4-6-8-11/h4-8,10,17H,2-3,9H2,1H3,(H2,18,20,24)(H,19,22,25)