tert-butyl N-[(2R)-1-(furan-2-ylmethylamino)-3-(1H-indol-3-yl)-1-sulfanylidene-propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2R)-1-(furan-2-ylmethylamino)-3-(1H-indol-3-yl)-1-sulfanylidene-propan-2-yl]carbamate Openeye Name: tert-butyl N-[(1R)-2-(2-furylmethylamino)-1-(1H-indol-3-ylmethyl)-2-thioxo-ethyl]carbamate CAS Name: N-[(2R)-1-(2-furanylmethylamino)-3-(1H-indol-3-yl)-1-sulfanylidenepropan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2R)-1-(furan-2-ylmethylamino)-3-(1H-indol-3-yl)-1-sulfanylidenepropan-2-yl]carbamate Traditional Name: N-[(1R)-2-(2-furfurylamino)-1-(1H-indol-3-ylmethyl)-2-thioxo-ethyl]carbamic acid tert-butyl ester Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CNC2=CC=CC=C21)C(=S)NCC3=CC=CO3

Isomeric SMILES

CC(C)(C)OC(=O)N[C@H](CC1=CNC2=CC=CC=C21)C(=S)NCC3=CC=CO3

InChI

InChI=1S/C21H25N3O3S/c1-21(2,3)27-20(25)24-18(19(28)23-13-15-7-6-10-26-15)11-14-12-22-17-9-5-4-8-16(14)17/h4-10,12,18,22H,11,13H2,1-3H3,(H,23,28)(H,24,25)/t18-/m1/s1