2-(aminocarbonylamino)-N-[(3R)-azepan-3-yl]-5-(4-methoxyphenyl)thiophene-3-carboxamide

Systemtic Name: 2-(aminocarbonylamino)-N-[(3R)-azepan-3-yl]-5-(4-methoxyphenyl)thiophene-3-carboxamide Openeye Name: N-[(3R)-azepan-3-yl]-5-(4-methoxyphenyl)-2-ureido-thiophene-3-carboxamide CAS Name: N-[(3R)-3-azepanyl]-2-(carbamoylamino)-5-(4-methoxyphenyl)-3-thiophenecarboxamide IUPAC Name: N-[(3R)-azepan-3-yl]-2-(carbamoylamino)-5-(4-methoxyphenyl)thiophene-3-carboxamide Traditional Name: N-[(3R)-azepan-3-yl]-5-(4-methoxyphenyl)-2-ureido-thiophene-3-carboxamide Formula: C19H24N4O3S MolecularWeight: 388.48386

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC(=C(S2)NC(=O)N)C(=O)NC3CCCCNC3

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC(=C(S2)NC(=O)N)C(=O)N[C@@H]3CCCCNC3

InChI

InChI=1S/C19H24N4O3S/c1-26-14-7-5-12(6-8-14)16-10-15(18(27-16)23-19(20)25)17(24)22-13-4-2-3-9-21-11-13/h5-8,10,13,21H,2-4,9,11H2,1H3,(H,22,24)(H3,20,23,25)/t13-/m1/s1