N-[(6S)-3-(aminocarbonylcarbamoyl)-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-methyl-pyrazole-3-carboxamide

Systemtic Name: N-[(6S)-3-(aminocarbonylcarbamoyl)-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-methyl-pyrazole-3-carboxamide Openeye Name: N-[(6S)-3-allophanoyl-6-tert-butyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-methyl-pyrazole-3-carboxamide CAS Name: N-[(6S)-6-tert-butyl-3-[(carbamoylamino)-oxomethyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-methyl-3-pyrazolecarboxamide IUPAC Name: N-[(6S)-6-tert-butyl-3-(carbamoylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-methylpyrazole-3-carboxamide Traditional Name: N-[(6S)-3-allophanoyl-6-tert-butyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-methyl-pyrazole-3-carboxamide Formula: C19H25N5O3S MolecularWeight: 403.4985

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)NC(=O)N)NC(=O)C3=CC=NN3C

Isomeric SMILES

CC(C)(C)[C@H]1CCC2=C(C1)SC(=C2C(=O)NC(=O)N)NC(=O)C3=CC=NN3C

InChI

InChI=1S/C19H25N5O3S/c1-19(2,3)10-5-6-11-13(9-10)28-17(14(11)16(26)23-18(20)27)22-15(25)12-7-8-21-24(12)4/h7-8,10H,5-6,9H2,1-4H3,(H,22,25)(H3,20,23,26,27)/t10-/m0/s1