tert-butyl N-[[3-[(3R)-3,4-dihydro-2H-chromen-3-yl]-2-sulfanylidene-1H-imidazol-4-yl]methyl]carbamate

Systemtic Name: tert-butyl N-[[3-[(3R)-3,4-dihydro-2H-chromen-3-yl]-2-sulfanylidene-1H-imidazol-4-yl]methyl]carbamate Openeye Name: tert-butyl N-[[3-[(3R)-chroman-3-yl]-2-thioxo-1H-imidazol-4-yl]methyl]carbamate CAS Name: N-[[3-[(3R)-3,4-dihydro-2H-1-benzopyran-3-yl]-2-sulfanylidene-1H-imidazol-4-yl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[3-[(3R)-3,4-dihydro-2H-chromen-3-yl]-2-sulfanylidene-1H-imidazol-4-yl]methyl]carbamate Traditional Name: N-[[3-[(3R)-chroman-3-yl]-2-thioxo-4-imidazolin-4-yl]methyl]carbamic acid tert-butyl ester Formula: C18H23N3O3S MolecularWeight: 361.45852

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC1=CNC(=S)N1C2CC3=CC=CC=C3OC2

Isomeric SMILES

CC(C)(C)OC(=O)NCC1=CNC(=S)N1[C@@H]2CC3=CC=CC=C3OC2

InChI

InChI=1S/C18H23N3O3S/c1-18(2,3)24-17(22)20-10-14-9-19-16(25)21(14)13-8-12-6-4-5-7-15(12)23-11-13/h4-7,9,13H,8,10-11H2,1-3H3,(H,19,25)(H,20,22)/t13-/m1/s1