6-azanylidene-9-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)phenyl]thioxanthen-3-amine

Systemtic Name: 6-azanylidene-9-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)phenyl]thioxanthen-3-amine Openeye Name: 9-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)phenyl]-6-imino-thioxanthen-3-amine CAS Name: 9-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)phenyl]-6-imino-3-thioxanthenamine IUPAC Name: 9-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)phenyl]-6-iminothioxanthen-3-amine Traditional Name: [9-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)phenyl]-6-imino-thioxanthen-3-yl]amine Formula: C27H27N3O2S MolecularWeight: 457.58718

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC12OCCO2)CC3=CC=C(C=C3)C4=C5C=CC(=N)C=C5SC6=C4C=CC(=C6)N

Isomeric SMILES

C1CN(CCC12OCCO2)CC3=CC=C(C=C3)C4=C5C=CC(=N)C=C5SC6=C4C=CC(=C6)N

InChI

InChI=1S/C27H27N3O2S/c28-20-5-7-22-24(15-20)33-25-16-21(29)6-8-23(25)26(22)19-3-1-18(2-4-19)17-30-11-9-27(10-12-30)31-13-14-32-27/h1-8,15-16,28H,9-14,17,29H2