(7-methoxy-2-oxidanylidene-chromen-4-yl)methyl N'-[4-[(2S)-butan-2-yl]phenyl]carbamimidothioate

Systemtic Name: (7-methoxy-2-oxidanylidene-chromen-4-yl)methyl N'-[4-[(2S)-butan-2-yl]phenyl]carbamimidothioate Openeye Name: 2-[(7-methoxy-2-oxo-chromen-4-yl)methyl]-3-[4-[(1S)-1-methylpropyl]phenyl]isothiourea CAS Name: N'-[4-[(2S)-butan-2-yl]phenyl]carbamimidothioic acid (7-methoxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methoxy-2-oxochromen-4-yl)methyl N'-[4-[(2S)-butan-2-yl]phenyl]carbamimidothioate Traditional Name: 2-[(2-keto-7-methoxy-chromen-4-yl)methyl]-3-[4-[(1S)-1-methylpropyl]phenyl]isothiourea Formula: C22H24N2O3S MolecularWeight: 396.50256

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)N=C(N)SCC2=CC(=O)OC3=C2C=CC(=C3)OC

Isomeric SMILES

CC[C@H](C)C1=CC=C(C=C1)N=C(N)SCC2=CC(=O)OC3=C2C=CC(=C3)OC

InChI

InChI=1S/C22H24N2O3S/c1-4-14(2)15-5-7-17(8-6-15)24-22(23)28-13-16-11-21(25)27-20-12-18(26-3)9-10-19(16)20/h5-12,14H,4,13H2,1-3H3,(H2,23,24)/t14-/m0/s1