1-(2-diethylaminoethylamino)-7-methoxy-9-oxidanylidene-4-[[2-(sulfinoamino)phenyl]methyl]thioxanthene

Systemtic Name: 1-(2-diethylaminoethylamino)-7-methoxy-9-oxidanylidene-4-[[2-(sulfinoamino)phenyl]methyl]thioxanthene Openeye Name: 1-(2-diethylaminoethylamino)-7-methoxy-9-oxo-4-[[2-(sulfinoamino)phenyl]methyl]thioxanthene CAS Name: 1-(2-diethylaminoethylamino)-7-methoxy-9-oxo-4-[[2-(sulfinoamino)phenyl]methyl]thioxanthene IUPAC Name: 1-(2-diethylaminoethylamino)-7-methoxy-9-oxo-4-[[2-(sulfinoamino)phenyl]methyl]thioxanthene Traditional Name: 1-(2-diethylaminoethylamino)-9-keto-7-methoxy-4-[2-(sulfinoamino)benzyl]thioxanthene Formula: C27H31N3O4S2 MolecularWeight: 525.68274

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC1=C2C(=C(C=C1)CC3=CC=CC=C3NS(=O)O)SC4=C(C2=O)C=C(C=C4)OC

Isomeric SMILES

CCN(CC)CCNC1=C2C(=C(C=C1)CC3=CC=CC=C3NS(=O)O)SC4=C(C2=O)C=C(C=C4)OC

InChI

InChI=1S/C27H31N3O4S2/c1-4-30(5-2)15-14-28-23-12-10-19(16-18-8-6-7-9-22(18)29-36(32)33)27-25(23)26(31)21-17-20(34-3)11-13-24(21)35-27/h6-13,17,28-29H,4-5,14-16H2,1-3H3,(H,32,33)