6-azanylidene-9-[4-(piperidin-1-ylmethyl)phenyl]thioxanthen-3-amine

Systemtic Name: 6-azanylidene-9-[4-(piperidin-1-ylmethyl)phenyl]thioxanthen-3-amine Openeye Name: 6-imino-9-[4-(1-piperidylmethyl)phenyl]thioxanthen-3-amine CAS Name: 6-imino-9-[4-(1-piperidinylmethyl)phenyl]-3-thioxanthenamine IUPAC Name: 6-imino-9-[4-(piperidin-1-ylmethyl)phenyl]thioxanthen-3-amine Traditional Name: [6-imino-9-[4-(piperidinomethyl)phenyl]thioxanthen-3-yl]amine Formula: C25H25N3S MolecularWeight: 399.5511

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=CC=C(C=C2)C3=C4C=CC(=N)C=C4SC5=C3C=CC(=C5)N

Isomeric SMILES

C1CCN(CC1)CC2=CC=C(C=C2)C3=C4C=CC(=N)C=C4SC5=C3C=CC(=C5)N

InChI

InChI=1S/C25H25N3S/c26-19-8-10-21-23(14-19)29-24-15-20(27)9-11-22(24)25(21)18-6-4-17(5-7-18)16-28-12-2-1-3-13-28/h4-11,14-15,26H,1-3,12-13,16,27H2