1-(1,3-benzodioxol-5-ylmethyl)-3-[(2S)-2-methyl-3-oxidanylidene-4H-1,4-benzoxazin-6-yl]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(2S)-2-methyl-3-oxidanylidene-4H-1,4-benzoxazin-6-yl]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]thiourea Traditional Name: 1-[(2S)-3-keto-2-methyl-4H-1,4-benzoxazin-6-yl]-3-piperonyl-thiourea Formula: C18H17N3O4S MolecularWeight: 371.41028

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)NC2=C(O1)C=CC(=C2)NC(=S)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C[C@H]1C(=O)NC2=C(O1)C=CC(=C2)NC(=S)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H17N3O4S/c1-10-17(22)21-13-7-12(3-5-14(13)25-10)20-18(26)19-8-11-2-4-15-16(6-11)24-9-23-15/h2-7,10H,8-9H2,1H3,(H,21,22)(H2,19,20,26)/t10-/m0/s1