N-[(3S)-azepan-3-yl]-5-(3-methoxyphenyl)-2-(pyrazin-2-ylcarbamoylamino)thiophene-3-carboxamide

Systemtic Name: N-[(3S)-azepan-3-yl]-5-(3-methoxyphenyl)-2-(pyrazin-2-ylcarbamoylamino)thiophene-3-carboxamide Openeye Name: N-[(3S)-azepan-3-yl]-5-(3-methoxyphenyl)-2-(pyrazin-2-ylcarbamoylamino)thiophene-3-carboxamide CAS Name: N-[(3S)-3-azepanyl]-5-(3-methoxyphenyl)-2-[[oxo-(2-pyrazinylamino)methyl]amino]-3-thiophenecarboxamide IUPAC Name: N-[(3S)-azepan-3-yl]-5-(3-methoxyphenyl)-2-(pyrazin-2-ylcarbamoylamino)thiophene-3-carboxamide Traditional Name: N-[(3S)-azepan-3-yl]-5-(3-methoxyphenyl)-2-(pyrazin-2-ylcarbamoylamino)thiophene-3-carboxamide Formula: C23H26N6O3S MolecularWeight: 466.55594

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=CC(=C(S2)NC(=O)NC3=NC=CN=C3)C(=O)NC4CCCCNC4

Isomeric SMILES

COC1=CC=CC(=C1)C2=CC(=C(S2)NC(=O)NC3=NC=CN=C3)C(=O)N[C@H]4CCCCNC4

InChI

InChI=1S/C23H26N6O3S/c1-32-17-7-4-5-15(11-17)19-12-18(21(30)27-16-6-2-3-8-24-13-16)22(33-19)29-23(31)28-20-14-25-9-10-26-20/h4-5,7,9-12,14,16,24H,2-3,6,8,13H2,1H3,(H,27,30)(H2,26,28,29,31)/t16-/m0/s1