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

Systemtic Name: 1-[1-[1-butyl-2,4,6-tris(oxidanylidene)-1,3-diazinan-5-ylidene]ethylamino]-3-phenyl-thiourea Openeye Name: 1-[1-(1-butyl-2,4,6-trioxo-hexahydropyrimidin-5-ylidene)ethylamino]-3-phenyl-thiourea CAS Name: 1-[1-(1-butyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)ethylamino]-3-phenylthiourea IUPAC Name: 1-[1-(1-butyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)ethylamino]-3-phenylthiourea Traditional Name: 1-[1-(1-butyl-2,4,6-triketo-hexahydropyrimidin-5-ylidene)ethylamino]-3-phenyl-thiourea Formula: C17H21N5O3S MolecularWeight: 375.44534

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N5O3S/c1-3-4-10-22-15(24)13(14(23)19-17(22)25)11(2)20-21-16(26)18-12-8-6-5-7-9-12/h5-9,20H,3-4,10H2,1-2H3,(H2,18,21,26)(H,19,23,25)