tert-butyl 4-[[4-[(2,6-dimethylphenyl)carbamothioylamino]-6-methoxy-quinazolin-7-yl]oxymethyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[4-[(2,6-dimethylphenyl)carbamothioylamino]-6-methoxy-quinazolin-7-yl]oxymethyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[4-[(2,6-dimethylphenyl)carbamothioylamino]-6-methoxy-quinazolin-7-yl]oxymethyl]piperidine-1-carboxylate CAS Name: 4-[[4-[[(2,6-dimethylanilino)-sulfanylidenemethyl]amino]-6-methoxy-7-quinazolinyl]oxymethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[4-[(2,6-dimethylphenyl)carbamothioylamino]-6-methoxyquinazolin-7-yl]oxymethyl]piperidine-1-carboxylate Traditional Name: 4-[[4-[(2,6-dimethylphenyl)thiocarbamoylamino]-6-methoxy-quinazolin-7-yl]oxymethyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C29H37N5O4S MolecularWeight: 551.70018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=S)NC2=NC=NC3=CC(=C(C=C32)OC)OCC4CCN(CC4)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=S)NC2=NC=NC3=CC(=C(C=C32)OC)OCC4CCN(CC4)C(=O)OC(C)(C)C

InChI

InChI=1S/C29H37N5O4S/c1-18-8-7-9-19(2)25(18)32-27(39)33-26-21-14-23(36-6)24(15-22(21)30-17-31-26)37-16-20-10-12-34(13-11-20)28(35)38-29(3,4)5/h7-9,14-15,17,20H,10-13,16H2,1-6H3,(H2,30,31,32,33,39)