1-(3-methylbutyl)-3-[2-[(2S)-3-oxidanylidene-4H-1,4-benzothiazin-2-yl]ethanoylamino]thiourea

Systemtic Name: 1-(3-methylbutyl)-3-[2-[(2S)-3-oxidanylidene-4H-1,4-benzothiazin-2-yl]ethanoylamino]thiourea Openeye Name: 1-isopentyl-3-[[2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetyl]amino]thiourea CAS Name: 1-(3-methylbutyl)-3-[[1-oxo-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]ethyl]amino]thiourea IUPAC Name: 1-(3-methylbutyl)-3-[[2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetyl]amino]thiourea Traditional Name: 1-isoamyl-3-[[2-[(2S)-3-keto-4H-1,4-benzothiazin-2-yl]acetyl]amino]thiourea Formula: C16H22N4O2S2 MolecularWeight: 366.50148

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=S)NNC(=O)CC1C(=O)NC2=CC=CC=C2S1

Isomeric SMILES

CC(C)CCNC(=S)NNC(=O)C[C@H]1C(=O)NC2=CC=CC=C2S1

InChI

InChI=1S/C16H22N4O2S2/c1-10(2)7-8-17-16(23)20-19-14(21)9-13-15(22)18-11-5-3-4-6-12(11)24-13/h3-6,10,13H,7-9H2,1-2H3,(H,18,22)(H,19,21)(H2,17,20,23)/t13-/m0/s1