1-[[(1E)-1-(1-oxidanylidene-4H-isochromen-3-ylidene)ethyl]amino]-3-phenyl-thiourea

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C1CC2=CC=CC=C2C(=O)O1)NNC(=S)NC3=CC=CC=C3

Isomeric SMILES

C/C(=C\1/CC2=CC=CC=C2C(=O)O1)/NNC(=S)NC3=CC=CC=C3

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/h2-10,20H,11H2,1H3,(H2,19,21,24)/b16-12+