methyl N-(1-azanyl-9-oxidanylidene-thioxanthen-4-yl)-N-(2-diethylaminoethyl)carbamate

Systemtic Name: methyl N-(1-azanyl-9-oxidanylidene-thioxanthen-4-yl)-N-(2-diethylaminoethyl)carbamate Openeye Name: methyl N-(1-amino-9-oxo-thioxanthen-4-yl)-N-(2-diethylaminoethyl)carbamate CAS Name: N-(1-amino-9-oxo-4-thioxanthenyl)-N-(2-diethylaminoethyl)carbamic acid methyl ester IUPAC Name: methyl N-(1-amino-9-oxothioxanthen-4-yl)-N-(2-diethylaminoethyl)carbamate Traditional Name: N-(1-amino-9-keto-thioxanthen-4-yl)-N-(2-diethylaminoethyl)carbamic acid methyl ester Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN(C1=C2C(=C(C=C1)N)C(=O)C3=CC=CC=C3S2)C(=O)OC

Isomeric SMILES

CCN(CC)CCN(C1=C2C(=C(C=C1)N)C(=O)C3=CC=CC=C3S2)C(=O)OC

InChI

InChI=1S/C21H25N3O3S/c1-4-23(5-2)12-13-24(21(26)27-3)16-11-10-15(22)18-19(25)14-8-6-7-9-17(14)28-20(16)18/h6-11H,4-5,12-13,22H2,1-3H3