(2S)-4-[(3-ethylphenyl)carbamothioyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Systemtic Name: (2S)-4-[(3-ethylphenyl)carbamothioyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: (2S)-4-[(3-ethylphenyl)carbamothioyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: (2S)-4-[(3-ethylanilino)-sulfanylidenemethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: (2S)-4-[(3-ethylphenyl)carbamothioyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: (2S)-4-[(3-ethylphenyl)thiocarbamoyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C18H19N3O2S MolecularWeight: 341.42736

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)NC(=S)N2CC(OC3=CC=CC=C32)C(=O)N

Isomeric SMILES

CCC1=CC(=CC=C1)NC(=S)N2C[C@H](OC3=CC=CC=C32)C(=O)N

InChI

InChI=1S/C18H19N3O2S/c1-2-12-6-5-7-13(10-12)20-18(24)21-11-16(17(19)22)23-15-9-4-3-8-14(15)21/h3-10,16H,2,11H2,1H3,(H2,19,22)(H,20,24)/t16-/m0/s1