1-(2-methylphenyl)-3-[[3-(3-oxidanylidenepiperazin-1-yl)sulfonylphenyl]carbonylamino]thiourea

Systemtic Name: 1-(2-methylphenyl)-3-[[3-(3-oxidanylidenepiperazin-1-yl)sulfonylphenyl]carbonylamino]thiourea Openeye Name: 1-(o-tolyl)-3-[[3-(3-oxopiperazin-1-yl)sulfonylbenzoyl]amino]thiourea CAS Name: 1-(2-methylphenyl)-3-[[oxo-[3-[(3-oxo-1-piperazinyl)sulfonyl]phenyl]methyl]amino]thiourea IUPAC Name: 1-(2-methylphenyl)-3-[[3-(3-oxopiperazin-1-yl)sulfonylbenzoyl]amino]thiourea Traditional Name: 1-[[3-(3-ketopiperazino)sulfonylbenzoyl]amino]-3-(o-tolyl)thiourea Formula: C19H21N5O4S2 MolecularWeight: 447.53114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=S)NNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCNC(=O)C3

Isomeric SMILES

CC1=CC=CC=C1NC(=S)NNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCNC(=O)C3

InChI

InChI=1S/C19H21N5O4S2/c1-13-5-2-3-8-16(13)21-19(29)23-22-18(26)14-6-4-7-15(11-14)30(27,28)24-10-9-20-17(25)12-24/h2-8,11H,9-10,12H2,1H3,(H,20,25)(H,22,26)(H2,21,23,29)