1-[(2S)-2-methyl-3-oxidanylidene-4H-1,4-benzoxazin-6-yl]-3-phenethyl-thiourea

Systemtic Name: 1-[(2S)-2-methyl-3-oxidanylidene-4H-1,4-benzoxazin-6-yl]-3-phenethyl-thiourea Openeye Name: 1-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-3-phenethyl-thiourea CAS Name: 1-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-3-phenethylthiourea IUPAC Name: 1-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-3-phenethylthiourea Traditional Name: 1-[(2S)-3-keto-2-methyl-4H-1,4-benzoxazin-6-yl]-3-phenethyl-thiourea Formula: C18H19N3O2S MolecularWeight: 341.42736

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)NC2=C(O1)C=CC(=C2)NC(=S)NCCC3=CC=CC=C3

Isomeric SMILES

C[C@H]1C(=O)NC2=C(O1)C=CC(=C2)NC(=S)NCCC3=CC=CC=C3

InChI

InChI=1S/C18H19N3O2S/c1-12-17(22)21-15-11-14(7-8-16(15)23-12)20-18(24)19-10-9-13-5-3-2-4-6-13/h2-8,11-12H,9-10H2,1H3,(H,21,22)(H2,19,20,24)/t12-/m0/s1