3-azanyl-4-[[(Z)-4-[5-(piperidin-1-ylmethyl)thiophen-3-yl]oxybut-2-enyl]amino]cyclobut-3-ene-1,2-dione

Systemtic Name: 3-azanyl-4-[[(Z)-4-[5-(piperidin-1-ylmethyl)thiophen-3-yl]oxybut-2-enyl]amino]cyclobut-3-ene-1,2-dione Openeye Name: 3-amino-4-[[(Z)-4-[[5-(1-piperidylmethyl)-3-thienyl]oxy]but-2-enyl]amino]cyclobut-3-ene-1,2-dione CAS Name: 3-amino-4-[[(Z)-4-[[5-(1-piperidinylmethyl)-3-thiophenyl]oxy]but-2-enyl]amino]cyclobut-3-ene-1,2-dione IUPAC Name: 3-amino-4-[[(Z)-4-[5-(piperidin-1-ylmethyl)thiophen-3-yl]oxybut-2-enyl]amino]cyclobut-3-ene-1,2-dione Traditional Name: 3-amino-4-[[(Z)-4-[[5-(piperidinomethyl)-3-thienyl]oxy]but-2-enyl]amino]cyclobut-3-ene-1,2-quinone Formula: C18H23N3O3S MolecularWeight: 361.45852

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=CC(=CS2)OCC=CCNC3=C(C(=O)C3=O)N

Isomeric SMILES

C1CCN(CC1)CC2=CC(=CS2)OC/C=C\CNC3=C(C(=O)C3=O)N

InChI

InChI=1S/C18H23N3O3S/c19-15-16(18(23)17(15)22)20-6-2-5-9-24-13-10-14(25-12-13)11-21-7-3-1-4-8-21/h2,5,10,12,20H,1,3-4,6-9,11,19H2/b5-2-