1-[3-[(4-methylphenyl)sulfonylamino]propanoylamino]-3-(phenylmethyl)thiourea

Systemtic Name: 1-[3-[(4-methylphenyl)sulfonylamino]propanoylamino]-3-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-[3-(p-tolylsulfonylamino)propanoylamino]thiourea CAS Name: 1-[[3-[(4-methylphenyl)sulfonylamino]-1-oxopropyl]amino]-3-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-[3-[(4-methylphenyl)sulfonylamino]propanoylamino]thiourea Traditional Name: 1-benzyl-3-[3-(tosylamino)propanoylamino]thiourea Formula: C18H22N4O3S2 MolecularWeight: 406.52228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)NNC(=S)NCC2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)NNC(=S)NCC2=CC=CC=C2

InChI

InChI=1S/C18H22N4O3S2/c1-14-7-9-16(10-8-14)27(24,25)20-12-11-17(23)21-22-18(26)19-13-15-5-3-2-4-6-15/h2-10,20H,11-13H2,1H3,(H,21,23)(H2,19,22,26)