1-tert-butyl-3-[[(3S)-2-[[(2R)-pyrrolidin-2-yl]methylcarbamothioyl]-3,4-dihydro-1H-isoquinolin-3-yl]methyl]urea

Systemtic Name: 1-tert-butyl-3-[[(3S)-2-[[(2R)-pyrrolidin-2-yl]methylcarbamothioyl]-3,4-dihydro-1H-isoquinolin-3-yl]methyl]urea Openeye Name: 1-tert-butyl-3-[[(3S)-2-[[(2R)-pyrrolidin-2-yl]methylcarbamothioyl]-3,4-dihydro-1H-isoquinolin-3-yl]methyl]urea CAS Name: 1-tert-butyl-3-[[(3S)-2-[[[(2R)-2-pyrrolidinyl]methylamino]-sulfanylidenemethyl]-3,4-dihydro-1H-isoquinolin-3-yl]methyl]urea IUPAC Name: 1-tert-butyl-3-[[(3S)-2-[[(2R)-pyrrolidin-2-yl]methylcarbamothioyl]-3,4-dihydro-1H-isoquinolin-3-yl]methyl]urea Traditional Name: 1-tert-butyl-3-[[(3S)-2-[[(2R)-pyrrolidin-2-yl]methylthiocarbamoyl]-3,4-dihydro-1H-isoquinolin-3-yl]methyl]urea Formula: C21H33N5OS MolecularWeight: 403.58462

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)NCC1CC2=CC=CC=C2CN1C(=S)NCC3CCCN3

Isomeric SMILES

CC(C)(C)NC(=O)NC[C@@H]1CC2=CC=CC=C2CN1C(=S)NC[C@H]3CCCN3

InChI

InChI=1S/C21H33N5OS/c1-21(2,3)25-19(27)23-13-18-11-15-7-4-5-8-16(15)14-26(18)20(28)24-12-17-9-6-10-22-17/h4-5,7-8,17-18,22H,6,9-14H2,1-3H3,(H,24,28)(H2,23,25,27)/t17-,18+/m1/s1