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

Systemtic Name: N-(3-aminocarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-[(2-chloranyl-5-methyl-phenoxy)methyl]pyrazole-3-carboxamide Openeye Name: N-(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-1-[(2-chloro-5-methyl-phenoxy)methyl]pyrazole-3-carboxamide CAS Name: N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-[(2-chloro-5-methylphenoxy)methyl]-3-pyrazolecarboxamide IUPAC Name: N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-[(2-chloro-5-methylphenoxy)methyl]pyrazole-3-carboxamide Traditional Name: N-(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-1-[(2-chloro-5-methyl-phenoxy)methyl]pyrazole-3-carboxamide Formula: C21H21ClN4O3S MolecularWeight: 444.93444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)Cl)OCN2C=CC(=N2)C(=O)NC3=C(C4=C(S3)CCCC4)C(=O)N

Isomeric SMILES

CC1=CC(=C(C=C1)Cl)OCN2C=CC(=N2)C(=O)NC3=C(C4=C(S3)CCCC4)C(=O)N

InChI

InChI=1S/C21H21ClN4O3S/c1-12-6-7-14(22)16(10-12)29-11-26-9-8-15(25-26)20(28)24-21-18(19(23)27)13-4-2-3-5-17(13)30-21/h6-10H,2-5,11H2,1H3,(H2,23,27)(H,24,28)