1-[(3-methylsulfonylphenyl)carbonylamino]-3-propan-2-yl-thiourea

Systemtic Name: 1-[(3-methylsulfonylphenyl)carbonylamino]-3-propan-2-yl-thiourea Openeye Name: 1-isopropyl-3-[(3-methylsulfonylbenzoyl)amino]thiourea CAS Name: 1-[[(3-methylsulfonylphenyl)-oxomethyl]amino]-3-propan-2-ylthiourea IUPAC Name: 1-[(3-methylsulfonylbenzoyl)amino]-3-propan-2-ylthiourea Traditional Name: 1-isopropyl-3-[(3-mesylbenzoyl)amino]thiourea Formula: C12H17N3O3S2 MolecularWeight: 315.41168

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=S)NNC(=O)C1=CC(=CC=C1)S(=O)(=O)C

Isomeric SMILES

CC(C)NC(=S)NNC(=O)C1=CC(=CC=C1)S(=O)(=O)C

InChI

InChI=1S/C12H17N3O3S2/c1-8(2)13-12(19)15-14-11(16)9-5-4-6-10(7-9)20(3,17)18/h4-8H,1-3H3,(H,14,16)(H2,13,15,19)