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

Systemtic Name: (7-ethyl-2-oxidanylidene-chromen-4-yl)methyl N'-[4-[(2R)-butan-2-yl]phenyl]carbamimidothioate Openeye Name: 2-[(7-ethyl-2-oxo-chromen-4-yl)methyl]-3-[4-[(1R)-1-methylpropyl]phenyl]isothiourea CAS Name: N'-[4-[(2R)-butan-2-yl]phenyl]carbamimidothioic acid (7-ethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-ethyl-2-oxochromen-4-yl)methyl N'-[4-[(2R)-butan-2-yl]phenyl]carbamimidothioate Traditional Name: 2-[(7-ethyl-2-keto-chromen-4-yl)methyl]-3-[4-[(1R)-1-methylpropyl]phenyl]isothiourea Formula: C23H26N2O2S MolecularWeight: 394.52974

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CSC(=NC3=CC=C(C=C3)C(C)CC)N

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CSC(=NC3=CC=C(C=C3)[C@H](C)CC)N

InChI

InChI=1S/C23H26N2O2S/c1-4-15(3)17-7-9-19(10-8-17)25-23(24)28-14-18-13-22(26)27-21-12-16(5-2)6-11-20(18)21/h6-13,15H,4-5,14H2,1-3H3,(H2,24,25)/t15-/m1/s1