1-[[(1S)-1-(2-oxidanyl-4-oxidanylidene-chromen-3-yl)-1-phenyl-pent-2-en-3-yl]amino]thiourea

Systemtic Name: 1-[[(1S)-1-(2-oxidanyl-4-oxidanylidene-chromen-3-yl)-1-phenyl-pent-2-en-3-yl]amino]thiourea Openeye Name: [[(3S)-1-ethyl-3-(2-hydroxy-4-oxo-chromen-3-yl)-3-phenyl-prop-1-enyl]amino]thiourea CAS Name: [[(1S)-1-(2-hydroxy-4-oxo-1-benzopyran-3-yl)-1-phenylpent-2-en-3-yl]amino]thiourea IUPAC Name: [[(1S)-1-(2-hydroxy-4-oxochromen-3-yl)-1-phenylpent-2-en-3-yl]amino]thiourea Traditional Name: [[(3S)-1-ethyl-3-(2-hydroxy-4-keto-chromen-3-yl)-3-phenyl-prop-1-enyl]amino]thiourea Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC(=C[C@@H](C1=CC=CC=C1)C2=C(OC3=CC=CC=C3C2=O)O)NNC(=S)N

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/h3-12,16,23,26H,2H2,1H3,(H3,22,24,28)/t16-/m0/s1