tert-butyl N-[[4-[(6-chloranyl-3,4-dihydro-2H-thiochromen-4-yl)carbamoyl]phenyl]methyl]carbamate

Systemtic Name: tert-butyl N-[[4-[(6-chloranyl-3,4-dihydro-2H-thiochromen-4-yl)carbamoyl]phenyl]methyl]carbamate Openeye Name: tert-butyl N-[[4-[(6-chlorothiochroman-4-yl)carbamoyl]phenyl]methyl]carbamate CAS Name: N-[[4-[[(6-chloro-3,4-dihydro-2H-1-benzothiopyran-4-yl)amino]-oxomethyl]phenyl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[4-[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)carbamoyl]phenyl]methyl]carbamate Traditional Name: N-[4-[(6-chlorothiochroman-4-yl)carbamoyl]benzyl]carbamic acid tert-butyl ester Formula: C22H25ClN2O3S MolecularWeight: 432.9635

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC1=CC=C(C=C1)C(=O)NC2CCSC3=C2C=C(C=C3)Cl

Isomeric SMILES

CC(C)(C)OC(=O)NCC1=CC=C(C=C1)C(=O)NC2CCSC3=C2C=C(C=C3)Cl

InChI

InChI=1S/C22H25ClN2O3S/c1-22(2,3)28-21(27)24-13-14-4-6-15(7-5-14)20(26)25-18-10-11-29-19-9-8-16(23)12-17(18)19/h4-9,12,18H,10-11,13H2,1-3H3,(H,24,27)(H,25,26)