1-[3-[(3S)-3-azanylazepan-1-yl]carbonyl-5-(4-methoxyphenyl)thiophen-2-yl]urea

Systemtic Name: 1-[3-[(3S)-3-azanylazepan-1-yl]carbonyl-5-(4-methoxyphenyl)thiophen-2-yl]urea Openeye Name: [3-[(3S)-3-aminoazepane-1-carbonyl]-5-(4-methoxyphenyl)-2-thienyl]urea CAS Name: [3-[[(3S)-3-amino-1-azepanyl]-oxomethyl]-5-(4-methoxyphenyl)-2-thiophenyl]urea IUPAC Name: [3-[(3S)-3-aminoazepane-1-carbonyl]-5-(4-methoxyphenyl)thiophen-2-yl]urea Traditional Name: [3-[(3S)-3-aminoazepane-1-carbonyl]-5-(4-methoxyphenyl)-2-thienyl]urea 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)N3CCCCC(C3)N

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC(=C(S2)NC(=O)N)C(=O)N3CCCC[C@@H](C3)N

InChI

InChI=1S/C19H24N4O3S/c1-26-14-7-5-12(6-8-14)16-10-15(17(27-16)22-19(21)25)18(24)23-9-3-2-4-13(20)11-23/h5-8,10,13H,2-4,9,11,20H2,1H3,(H3,21,22,25)/t13-/m0/s1