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

Systemtic Name: 1-[3-(1,4-diazepan-1-ylcarbonyl)-5-(4-methoxyphenyl)thiophen-2-yl]urea Openeye Name: [3-(1,4-diazepane-1-carbonyl)-5-(4-methoxyphenyl)-2-thienyl]urea CAS Name: [3-[1,4-diazepan-1-yl(oxo)methyl]-5-(4-methoxyphenyl)-2-thiophenyl]urea IUPAC Name: [3-(1,4-diazepane-1-carbonyl)-5-(4-methoxyphenyl)thiophen-2-yl]urea Traditional Name: [3-(1,4-diazepane-1-carbonyl)-5-(4-methoxyphenyl)-2-thienyl]urea Formula: C18H22N4O3S MolecularWeight: 374.45728

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC(=C(S2)NC(=O)N)C(=O)N3CCCNCC3

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC(=C(S2)NC(=O)N)C(=O)N3CCCNCC3

InChI

InChI=1S/C18H22N4O3S/c1-25-13-5-3-12(4-6-13)15-11-14(16(26-15)21-18(19)24)17(23)22-9-2-7-20-8-10-22/h3-6,11,20H,2,7-10H2,1H3,(H3,19,21,24)