2-[4-azanyl-2-[[4-(4-cyclopentylpiperazin-1-yl)phenyl]amino]-1,3-thiazol-5-yl]-1,3-benzodioxole-5-carbaldehyde

Systemtic Name: 2-[4-azanyl-2-[[4-(4-cyclopentylpiperazin-1-yl)phenyl]amino]-1,3-thiazol-5-yl]-1,3-benzodioxole-5-carbaldehyde Openeye Name: 2-[4-amino-2-[4-(4-cyclopentylpiperazin-1-yl)anilino]thiazol-5-yl]-1,3-benzodioxole-5-carbaldehyde CAS Name: 2-[4-amino-2-[4-(4-cyclopentyl-1-piperazinyl)anilino]-5-thiazolyl]-1,3-benzodioxole-5-carboxaldehyde IUPAC Name: 2-[4-amino-2-[4-(4-cyclopentylpiperazin-1-yl)anilino]-1,3-thiazol-5-yl]-1,3-benzodioxole-5-carbaldehyde Traditional Name: 2-[4-amino-2-[4-(4-cyclopentylpiperazino)anilino]thiazol-5-yl]piperonal Formula: C26H29N5O3S MolecularWeight: 491.60516

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2CCN(CC2)C3=CC=C(C=C3)NC4=NC(=C(S4)C5OC6=C(O5)C=C(C=C6)C=O)N

Isomeric SMILES

C1CCC(C1)N2CCN(CC2)C3=CC=C(C=C3)NC4=NC(=C(S4)C5OC6=C(O5)C=C(C=C6)C=O)N

InChI

InChI=1S/C26H29N5O3S/c27-24-23(25-33-21-10-5-17(16-32)15-22(21)34-25)35-26(29-24)28-18-6-8-20(9-7-18)31-13-11-30(12-14-31)19-3-1-2-4-19/h5-10,15-16,19,25H,1-4,11-14,27H2,(H,28,29)