1-[[(6R)-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]carbonylamino]-3-(phenylmethyl)thiourea

Systemtic Name: 1-[[(6R)-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]carbonylamino]-3-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-[[(6R)-6-tert-butyl-4,5,6,7-tetrahydrobenzothiophene-3-carbonyl]amino]thiourea CAS Name: 1-[[[(6R)-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]-oxomethyl]amino]-3-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-[[(6R)-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl]amino]thiourea Traditional Name: 1-benzyl-3-[[(6R)-6-tert-butyl-4,5,6,7-tetrahydrobenzothiophene-3-carbonyl]amino]thiourea Formula: C21H27N3OS2 MolecularWeight: 401.58858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)SC=C2C(=O)NNC(=S)NCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)[C@@H]1CCC2=C(C1)SC=C2C(=O)NNC(=S)NCC3=CC=CC=C3

InChI

InChI=1S/C21H27N3OS2/c1-21(2,3)15-9-10-16-17(13-27-18(16)11-15)19(25)23-24-20(26)22-12-14-7-5-4-6-8-14/h4-8,13,15H,9-12H2,1-3H3,(H,23,25)(H2,22,24,26)/t15-/m1/s1