1-[(E)-[1-(2-oxidanyl-4-oxidanylidene-chromen-3-yl)-1-phenyl-pentan-3-ylidene]amino]thiourea

Systemtic Name: 1-[(E)-[1-(2-oxidanyl-4-oxidanylidene-chromen-3-yl)-1-phenyl-pentan-3-ylidene]amino]thiourea Openeye Name: [(E)-[1-ethyl-3-(2-hydroxy-4-oxo-chromen-3-yl)-3-phenyl-propylidene]amino]thiourea CAS Name: [(E)-[1-(2-hydroxy-4-oxo-1-benzopyran-3-yl)-1-phenylpentan-3-ylidene]amino]thiourea IUPAC Name: [(E)-[1-(2-hydroxy-4-oxochromen-3-yl)-1-phenylpentan-3-ylidene]amino]thiourea Traditional Name: [(E)-[1-ethyl-3-(2-hydroxy-4-keto-chromen-3-yl)-3-phenyl-propylidene]amino]thiourea Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=NNC(=S)N)CC(C1=CC=CC=C1)C2=C(OC3=CC=CC=C3C2=O)O

Isomeric SMILES

CC/C(=N\NC(=S)N)/CC(C1=CC=CC=C1)C2=C(OC3=CC=CC=C3C2=O)O

InChI

InChI=1S/C21H21N3O3S/c1-2-14(23-24-21(22)28)12-16(13-8-4-3-5-9-13)18-19(25)15-10-6-7-11-17(15)27-20(18)26/h3-11,16,26H,2,12H2,1H3,(H3,22,24,28)/b23-14+