1-(3,4-dimethylphenyl)-3-[[3-(3-oxidanylidenepiperazin-1-yl)sulfonylphenyl]carbonylamino]thiourea

Systemtic Name: 1-(3,4-dimethylphenyl)-3-[[3-(3-oxidanylidenepiperazin-1-yl)sulfonylphenyl]carbonylamino]thiourea Openeye Name: 1-(3,4-dimethylphenyl)-3-[[3-(3-oxopiperazin-1-yl)sulfonylbenzoyl]amino]thiourea CAS Name: 1-(3,4-dimethylphenyl)-3-[[oxo-[3-[(3-oxo-1-piperazinyl)sulfonyl]phenyl]methyl]amino]thiourea IUPAC Name: 1-(3,4-dimethylphenyl)-3-[[3-(3-oxopiperazin-1-yl)sulfonylbenzoyl]amino]thiourea Traditional Name: 1-(3,4-dimethylphenyl)-3-[[3-(3-ketopiperazino)sulfonylbenzoyl]amino]thiourea Formula: C20H23N5O4S2 MolecularWeight: 461.55772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)NNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCNC(=O)C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)NNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCNC(=O)C3)C

InChI

InChI=1S/C20H23N5O4S2/c1-13-6-7-16(10-14(13)2)22-20(30)24-23-19(27)15-4-3-5-17(11-15)31(28,29)25-9-8-21-18(26)12-25/h3-7,10-11H,8-9,12H2,1-2H3,(H,21,26)(H,23,27)(H2,22,24,30)