N-(4-methoxy-2-methyl-phenyl)-4-(thiophen-3-ylmethyl)-1,4-diazepane-1-carboxamide

Systemtic Name: N-(4-methoxy-2-methyl-phenyl)-4-(thiophen-3-ylmethyl)-1,4-diazepane-1-carboxamide Openeye Name: N-(4-methoxy-2-methyl-phenyl)-4-(3-thienylmethyl)-1,4-diazepane-1-carboxamide CAS Name: N-(4-methoxy-2-methylphenyl)-4-(3-thiophenylmethyl)-1,4-diazepane-1-carboxamide IUPAC Name: N-(4-methoxy-2-methylphenyl)-4-(thiophen-3-ylmethyl)-1,4-diazepane-1-carboxamide Traditional Name: N-(4-methoxy-2-methyl-phenyl)-4-(3-thenyl)-1,4-diazepane-1-carboxamide Formula: C19H25N3O2S MolecularWeight: 359.4857

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC)NC(=O)N2CCCN(CC2)CC3=CSC=C3

Isomeric SMILES

CC1=C(C=CC(=C1)OC)NC(=O)N2CCCN(CC2)CC3=CSC=C3

InChI

InChI=1S/C19H25N3O2S/c1-15-12-17(24-2)4-5-18(15)20-19(23)22-8-3-7-21(9-10-22)13-16-6-11-25-14-16/h4-6,11-12,14H,3,7-10,13H2,1-2H3,(H,20,23)