1-[3-(3-oxidanylidene-1,4-benzothiazin-4-yl)propanoylamino]-3-(phenylmethyl)thiourea

Systemtic Name: 1-[3-(3-oxidanylidene-1,4-benzothiazin-4-yl)propanoylamino]-3-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-[3-(3-oxo-1,4-benzothiazin-4-yl)propanoylamino]thiourea CAS Name: 1-[[1-oxo-3-(3-oxo-1,4-benzothiazin-4-yl)propyl]amino]-3-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-[3-(3-oxo-1,4-benzothiazin-4-yl)propanoylamino]thiourea Traditional Name: 1-benzyl-3-[3-(3-keto-1,4-benzothiazin-4-yl)propanoylamino]thiourea Formula: C19H20N4O2S2 MolecularWeight: 400.5177

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(C2=CC=CC=C2S1)CCC(=O)NNC(=S)NCC3=CC=CC=C3

Isomeric SMILES

C1C(=O)N(C2=CC=CC=C2S1)CCC(=O)NNC(=S)NCC3=CC=CC=C3

InChI

InChI=1S/C19H20N4O2S2/c24-17(21-22-19(26)20-12-14-6-2-1-3-7-14)10-11-23-15-8-4-5-9-16(15)27-13-18(23)25/h1-9H,10-13H2,(H,21,24)(H2,20,22,26)