1-[3-(1,4-diazepan-1-ylcarbonyl)-5-(4-methoxyphenyl)thiophen-2-yl]-3-pyrazin-2-yl-urea

Systemtic Name: 1-[3-(1,4-diazepan-1-ylcarbonyl)-5-(4-methoxyphenyl)thiophen-2-yl]-3-pyrazin-2-yl-urea Openeye Name: 1-[3-(1,4-diazepane-1-carbonyl)-5-(4-methoxyphenyl)-2-thienyl]-3-pyrazin-2-yl-urea CAS Name: 1-[3-[1,4-diazepan-1-yl(oxo)methyl]-5-(4-methoxyphenyl)-2-thiophenyl]-3-(2-pyrazinyl)urea IUPAC Name: 1-[3-(1,4-diazepane-1-carbonyl)-5-(4-methoxyphenyl)thiophen-2-yl]-3-pyrazin-2-ylurea Traditional Name: 1-[3-(1,4-diazepane-1-carbonyl)-5-(4-methoxyphenyl)-2-thienyl]-3-pyrazin-2-yl-urea Formula: C22H24N6O3S MolecularWeight: 452.52936

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC(=C(S2)NC(=O)NC3=NC=CN=C3)C(=O)N4CCCNCC4

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC(=C(S2)NC(=O)NC3=NC=CN=C3)C(=O)N4CCCNCC4

InChI

InChI=1S/C22H24N6O3S/c1-31-16-5-3-15(4-6-16)18-13-17(21(29)28-11-2-7-23-10-12-28)20(32-18)27-22(30)26-19-14-24-8-9-25-19/h3-6,8-9,13-14,23H,2,7,10-12H2,1H3,(H2,25,26,27,30)