(4-oxidanylidene-2-phenyl-chromen-8-yl)methyl carbamimidothioate

Systemtic Name: (4-oxidanylidene-2-phenyl-chromen-8-yl)methyl carbamimidothioate Openeye Name: 2-[(4-oxo-2-phenyl-chromen-8-yl)methyl]isothiourea CAS Name: carbamimidothioic acid (4-oxo-2-phenyl-1-benzopyran-8-yl)methyl ester IUPAC Name: (4-oxo-2-phenylchromen-8-yl)methyl carbamimidothioate Traditional Name: 2-[(4-keto-2-phenyl-chromen-8-yl)methyl]isothiourea Formula: C17H14N2O2S MolecularWeight: 310.37026

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C(=CC=C3)CSC(=N)N

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C(=CC=C3)CSC(=N)N

InChI

InChI=1S/C17H14N2O2S/c18-17(19)22-10-12-7-4-8-13-14(20)9-15(21-16(12)13)11-5-2-1-3-6-11/h1-9H,10H2,(H3,18,19)