2-(aminocarbonylamino)-5-(4-methoxyphenyl)-N-[(3S)-1-methylazepan-3-yl]thiophene-3-carboxamide

Systemtic Name: 2-(aminocarbonylamino)-5-(4-methoxyphenyl)-N-[(3S)-1-methylazepan-3-yl]thiophene-3-carboxamide Openeye Name: 5-(4-methoxyphenyl)-N-[(3S)-1-methylazepan-3-yl]-2-ureido-thiophene-3-carboxamide CAS Name: 2-(carbamoylamino)-5-(4-methoxyphenyl)-N-[(3S)-1-methyl-3-azepanyl]-3-thiophenecarboxamide IUPAC Name: 2-(carbamoylamino)-5-(4-methoxyphenyl)-N-[(3S)-1-methylazepan-3-yl]thiophene-3-carboxamide Traditional Name: 5-(4-methoxyphenyl)-N-[(3S)-1-methylazepan-3-yl]-2-ureido-thiophene-3-carboxamide Formula: C20H26N4O3S MolecularWeight: 402.51044

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCCC(C1)NC(=O)C2=C(SC(=C2)C3=CC=C(C=C3)OC)NC(=O)N

Isomeric SMILES

CN1CCCC[C@@H](C1)NC(=O)C2=C(SC(=C2)C3=CC=C(C=C3)OC)NC(=O)N

InChI

InChI=1S/C20H26N4O3S/c1-24-10-4-3-5-14(12-24)22-18(25)16-11-17(28-19(16)23-20(21)26)13-6-8-15(27-2)9-7-13/h6-9,11,14H,3-5,10,12H2,1-2H3,(H,22,25)(H3,21,23,26)/t14-/m0/s1