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

Systemtic Name: 1-(3-methoxyphenyl)-3-[[4-(3-oxidanylidenepiperazin-1-yl)sulfonylphenyl]carbonylamino]thiourea Openeye Name: 1-(3-methoxyphenyl)-3-[[4-(3-oxopiperazin-1-yl)sulfonylbenzoyl]amino]thiourea CAS Name: 1-(3-methoxyphenyl)-3-[[oxo-[4-[(3-oxo-1-piperazinyl)sulfonyl]phenyl]methyl]amino]thiourea IUPAC Name: 1-(3-methoxyphenyl)-3-[[4-(3-oxopiperazin-1-yl)sulfonylbenzoyl]amino]thiourea Traditional Name: 1-[[4-(3-ketopiperazino)sulfonylbenzoyl]amino]-3-(3-methoxyphenyl)thiourea Formula: C19H21N5O5S2 MolecularWeight: 463.53054

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=S)NNC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCNC(=O)C3

Isomeric SMILES

COC1=CC=CC(=C1)NC(=S)NNC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCNC(=O)C3

InChI

InChI=1S/C19H21N5O5S2/c1-29-15-4-2-3-14(11-15)21-19(30)23-22-18(26)13-5-7-16(8-6-13)31(27,28)24-10-9-20-17(25)12-24/h2-8,11H,9-10,12H2,1H3,(H,20,25)(H,22,26)(H2,21,23,30)