1-[(E)-1-[(3R)-1-oxidanylidene-3,4-dihydroisochromen-3-yl]ethylideneamino]-3-phenyl-thiourea

Systemtic Name: 1-[(E)-1-[(3R)-1-oxidanylidene-3,4-dihydroisochromen-3-yl]ethylideneamino]-3-phenyl-thiourea Openeye Name: 1-[(E)-1-[(3R)-1-oxoisochroman-3-yl]ethylideneamino]-3-phenyl-thiourea CAS Name: 1-[(E)-1-[(3R)-1-oxo-3,4-dihydro-1H-2-benzopyran-3-yl]ethylideneamino]-3-phenylthiourea IUPAC Name: 1-[(E)-1-[(3R)-1-oxo-3,4-dihydroisochromen-3-yl]ethylideneamino]-3-phenylthiourea Traditional Name: 1-[(E)-1-[(3R)-1-ketoisochroman-3-yl]ethylideneamino]-3-phenyl-thiourea Formula: C18H17N3O2S MolecularWeight: 339.41148

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=S)NC1=CC=CC=C1)C2CC3=CC=CC=C3C(=O)O2

Isomeric SMILES

C/C(=N\NC(=S)NC1=CC=CC=C1)/[C@H]2CC3=CC=CC=C3C(=O)O2

InChI

InChI=1S/C18H17N3O2S/c1-12(20-21-18(24)19-14-8-3-2-4-9-14)16-11-13-7-5-6-10-15(13)17(22)23-16/h2-10,16H,11H2,1H3,(H2,19,21,24)/b20-12+/t16-/m1/s1