N-(3-aminocarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-chloranyl-3-methyl-1-(phenylmethyl)pyrazole-4-carboxamide

Systemtic Name: N-(3-aminocarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-chloranyl-3-methyl-1-(phenylmethyl)pyrazole-4-carboxamide Openeye Name: 1-benzyl-N-(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-5-chloro-3-methyl-pyrazole-4-carboxamide CAS Name: N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-chloro-3-methyl-1-(phenylmethyl)-4-pyrazolecarboxamide IUPAC Name: 1-benzyl-N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-chloro-3-methylpyrazole-4-carboxamide Traditional Name: 1-benzyl-N-(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-5-chloro-3-methyl-pyrazole-4-carboxamide Formula: C21H21ClN4O2S MolecularWeight: 428.93504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)N)Cl)CC4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)N)Cl)CC4=CC=CC=C4

InChI

InChI=1S/C21H21ClN4O2S/c1-12-16(18(22)26(25-12)11-13-7-3-2-4-8-13)20(28)24-21-17(19(23)27)14-9-5-6-10-15(14)29-21/h2-4,7-8H,5-6,9-11H2,1H3,(H2,23,27)(H,24,28)