2-[[4-[(2S)-butan-2-yl]oxyphenyl]carbonylcarbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-[[4-[(2S)-butan-2-yl]oxyphenyl]carbonylcarbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[[4-[(1S)-1-methylpropoxy]benzoyl]carbamothioylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[[[[4-[(2S)-butan-2-yl]oxyphenyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[[4-[(2S)-butan-2-yl]oxybenzoyl]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[[4-[(1S)-1-methylpropoxy]benzoyl]thiocarbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C21H25N3O3S2 MolecularWeight: 431.5715

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C3=C(S2)CCCC3)C(=O)N

Isomeric SMILES

CC[C@H](C)OC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C3=C(S2)CCCC3)C(=O)N

InChI

InChI=1S/C21H25N3O3S2/c1-3-12(2)27-14-10-8-13(9-11-14)19(26)23-21(28)24-20-17(18(22)25)15-6-4-5-7-16(15)29-20/h8-12H,3-7H2,1-2H3,(H2,22,25)(H2,23,24,26,28)/t12-/m0/s1