phenyl N-[7-(diethylamino)-4,4-bis(4-dimethylaminophenyl)-3,1-benzothiazin-2-yl]carbamate

Systemtic Name: phenyl N-[7-(diethylamino)-4,4-bis(4-dimethylaminophenyl)-3,1-benzothiazin-2-yl]carbamate Openeye Name: phenyl N-[7-(diethylamino)-4,4-bis(4-dimethylaminophenyl)-3,1-benzothiazin-2-yl]carbamate CAS Name: N-[7-(diethylamino)-4,4-bis(4-dimethylaminophenyl)-3,1-benzothiazin-2-yl]carbamic acid phenyl ester IUPAC Name: phenyl N-[7-(diethylamino)-4,4-bis(4-dimethylaminophenyl)-3,1-benzothiazin-2-yl]carbamate Traditional Name: N-[7-(diethylamino)-4,4-bis(4-dimethylaminophenyl)-3,1-benzothiazin-2-yl]carbamic acid phenyl ester Formula: C35H39N5O2S MolecularWeight: 593.78146

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC2=C(C=C1)C(SC(=N2)NC(=O)OC3=CC=CC=C3)(C4=CC=C(C=C4)N(C)C)C5=CC=C(C=C5)N(C)C

Isomeric SMILES

CCN(CC)C1=CC2=C(C=C1)C(SC(=N2)NC(=O)OC3=CC=CC=C3)(C4=CC=C(C=C4)N(C)C)C5=CC=C(C=C5)N(C)C

InChI

InChI=1S/C35H39N5O2S/c1-7-40(8-2)29-22-23-31-32(24-29)36-33(37-34(41)42-30-12-10-9-11-13-30)43-35(31,25-14-18-27(19-15-25)38(3)4)26-16-20-28(21-17-26)39(5)6/h9-24H,7-8H2,1-6H3,(H,36,37,41)