1-[[(6S)-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]carbonylamino]-3-(2-methylphenyl)thiourea

Systemtic Name: 1-[[(6S)-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]carbonylamino]-3-(2-methylphenyl)thiourea Openeye Name: 1-[[(6S)-6-tert-butyl-4,5,6,7-tetrahydrobenzothiophene-3-carbonyl]amino]-3-(o-tolyl)thiourea CAS Name: 1-[[[(6S)-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]-oxomethyl]amino]-3-(2-methylphenyl)thiourea IUPAC Name: 1-[[(6S)-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl]amino]-3-(2-methylphenyl)thiourea Traditional Name: 1-[[(6S)-6-tert-butyl-4,5,6,7-tetrahydrobenzothiophene-3-carbonyl]amino]-3-(o-tolyl)thiourea Formula: C21H27N3OS2 MolecularWeight: 401.58858

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=S)NNC(=O)C2=CSC3=C2CCC(C3)C(C)(C)C

Isomeric SMILES

CC1=CC=CC=C1NC(=S)NNC(=O)C2=CSC3=C2CC[C@@H](C3)C(C)(C)C

InChI

InChI=1S/C21H27N3OS2/c1-13-7-5-6-8-17(13)22-20(26)24-23-19(25)16-12-27-18-11-14(21(2,3)4)9-10-15(16)18/h5-8,12,14H,9-11H2,1-4H3,(H,23,25)(H2,22,24,26)/t14-/m0/s1