[5-phenylsulfanyl-4-propan-2-yl-1-(pyridin-4-ylmethyl)pyrrol-3-yl]methyl carbamate

Systemtic Name: [5-phenylsulfanyl-4-propan-2-yl-1-(pyridin-4-ylmethyl)pyrrol-3-yl]methyl carbamate Openeye Name: [4-isopropyl-5-phenylsulfanyl-1-(4-pyridylmethyl)pyrrol-3-yl]methyl carbamate CAS Name: carbamic acid [5-(phenylthio)-4-propan-2-yl-1-(pyridin-4-ylmethyl)-3-pyrrolyl]methyl ester IUPAC Name: [5-phenylsulfanyl-4-propan-2-yl-1-(pyridin-4-ylmethyl)pyrrol-3-yl]methyl carbamate Traditional Name: carbamic acid [4-isopropyl-5-(phenylthio)-1-(4-pyridylmethyl)pyrrol-3-yl]methyl ester Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(N(C=C1COC(=O)N)CC2=CC=NC=C2)SC3=CC=CC=C3

Isomeric SMILES

CC(C)C1=C(N(C=C1COC(=O)N)CC2=CC=NC=C2)SC3=CC=CC=C3

InChI

InChI=1S/C21H23N3O2S/c1-15(2)19-17(14-26-21(22)25)13-24(12-16-8-10-23-11-9-16)20(19)27-18-6-4-3-5-7-18/h3-11,13,15H,12,14H2,1-2H3,(H2,22,25)