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

Systemtic Name: 2-(aminocarbonylamino)-N-[(3S)-1-ethylazepan-3-yl]-5-(4-methoxyphenyl)thiophene-3-carboxamide Openeye Name: N-[(3S)-1-ethylazepan-3-yl]-5-(4-methoxyphenyl)-2-ureido-thiophene-3-carboxamide CAS Name: 2-(carbamoylamino)-N-[(3S)-1-ethyl-3-azepanyl]-5-(4-methoxyphenyl)-3-thiophenecarboxamide IUPAC Name: 2-(carbamoylamino)-N-[(3S)-1-ethylazepan-3-yl]-5-(4-methoxyphenyl)thiophene-3-carboxamide Traditional Name: N-[(3S)-1-ethylazepan-3-yl]-5-(4-methoxyphenyl)-2-ureido-thiophene-3-carboxamide Formula: C21H28N4O3S MolecularWeight: 416.53702

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCCCC(C1)NC(=O)C2=C(SC(=C2)C3=CC=C(C=C3)OC)NC(=O)N

Isomeric SMILES

CCN1CCCC[C@@H](C1)NC(=O)C2=C(SC(=C2)C3=CC=C(C=C3)OC)NC(=O)N

InChI

InChI=1S/C21H28N4O3S/c1-3-25-11-5-4-6-15(13-25)23-19(26)17-12-18(29-20(17)24-21(22)27)14-7-9-16(28-2)10-8-14/h7-10,12,15H,3-6,11,13H2,1-2H3,(H,23,26)(H3,22,24,27)/t15-/m0/s1