(2R)-4-[(4-butylphenyl)carbamothioyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Systemtic Name: (2R)-4-[(4-butylphenyl)carbamothioyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: (2R)-4-[(4-butylphenyl)carbamothioyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: (2R)-4-[(4-butylanilino)-sulfanylidenemethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: (2R)-4-[(4-butylphenyl)carbamothioyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: (2R)-4-[(4-butylphenyl)thiocarbamoyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C20H23N3O2S MolecularWeight: 369.48052

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)N2CC(OC3=CC=CC=C32)C(=O)N

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)N2C[C@@H](OC3=CC=CC=C32)C(=O)N

InChI

InChI=1S/C20H23N3O2S/c1-2-3-6-14-9-11-15(12-10-14)22-20(26)23-13-18(19(21)24)25-17-8-5-4-7-16(17)23/h4-5,7-12,18H,2-3,6,13H2,1H3,(H2,21,24)(H,22,26)/t18-/m1/s1