(2S)-4-[(4-methoxyphenyl)methylcarbamothioyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Systemtic Name: (2S)-4-[(4-methoxyphenyl)methylcarbamothioyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: (2S)-4-[(4-methoxyphenyl)methylcarbamothioyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: (2S)-4-[[(4-methoxyphenyl)methylamino]-sulfanylidenemethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: (2S)-4-[(4-methoxyphenyl)methylcarbamothioyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: (2S)-4-(p-anisylthiocarbamoyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C18H19N3O3S MolecularWeight: 357.42676

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC(=S)N2CC(OC3=CC=CC=C32)C(=O)N

Isomeric SMILES

COC1=CC=C(C=C1)CNC(=S)N2C[C@H](OC3=CC=CC=C32)C(=O)N

InChI

InChI=1S/C18H19N3O3S/c1-23-13-8-6-12(7-9-13)10-20-18(25)21-11-16(17(19)22)24-15-5-3-2-4-14(15)21/h2-9,16H,10-11H2,1H3,(H2,19,22)(H,20,25)/t16-/m0/s1