O-methyl N-[4-(methoxymethyl)-6-phenylmethoxy-9H-pyrido[3,4-b]indol-3-yl]carbamothioate

Systemtic Name: O-methyl N-[4-(methoxymethyl)-6-phenylmethoxy-9H-pyrido[3,4-b]indol-3-yl]carbamothioate Openeye Name: O-methyl N-[6-benzyloxy-4-(methoxymethyl)-9H-pyrido[3,4-b]indol-3-yl]carbamothioate CAS Name: N-[4-(methoxymethyl)-6-phenylmethoxy-9H-pyrido[3,4-b]indol-3-yl]carbamothioic acid O-methyl ester IUPAC Name: O-methyl N-[4-(methoxymethyl)-6-phenylmethoxy-9H-pyrido[3,4-b]indol-3-yl]carbamothioate Traditional Name: N-[6-benzoxy-4-(methoxymethyl)-9H-$b-carbolin-3-yl]thiocarbamic acid O-methyl ester Formula: C22H21N3O3S MolecularWeight: 407.48544

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=C2C3=C(C=CC(=C3)OCC4=CC=CC=C4)NC2=CN=C1NC(=S)OC

Isomeric SMILES

COCC1=C2C3=C(C=CC(=C3)OCC4=CC=CC=C4)NC2=CN=C1NC(=S)OC

InChI

InChI=1S/C22H21N3O3S/c1-26-13-17-20-16-10-15(28-12-14-6-4-3-5-7-14)8-9-18(16)24-19(20)11-23-21(17)25-22(29)27-2/h3-11,24H,12-13H2,1-2H3,(H,23,25,29)