[1-(2-diethylaminoethylamino)-9-oxidanylidene-thioxanthen-4-yl]methyl N-phenylcarbamate

Systemtic Name: [1-(2-diethylaminoethylamino)-9-oxidanylidene-thioxanthen-4-yl]methyl N-phenylcarbamate Openeye Name: [1-(2-diethylaminoethylamino)-9-oxo-thioxanthen-4-yl]methyl N-phenylcarbamate CAS Name: N-phenylcarbamic acid [1-(2-diethylaminoethylamino)-9-oxo-4-thioxanthenyl]methyl ester IUPAC Name: [1-(2-diethylaminoethylamino)-9-oxothioxanthen-4-yl]methyl N-phenylcarbamate Traditional Name: N-phenylcarbamic acid [1-(2-diethylaminoethylamino)-9-keto-thioxanthen-4-yl]methyl ester Formula: C27H29N3O3S MolecularWeight: 475.60246

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC1=C2C(=C(C=C1)COC(=O)NC3=CC=CC=C3)SC4=CC=CC=C4C2=O

Isomeric SMILES

CCN(CC)CCNC1=C2C(=C(C=C1)COC(=O)NC3=CC=CC=C3)SC4=CC=CC=C4C2=O

InChI

InChI=1S/C27H29N3O3S/c1-3-30(4-2)17-16-28-22-15-14-19(18-33-27(32)29-20-10-6-5-7-11-20)26-24(22)25(31)21-12-8-9-13-23(21)34-26/h5-15,28H,3-4,16-18H2,1-2H3,(H,29,32)