1-[4-methyl-5-[[(phenylmethyl)carbamothioylamino]carbamoyl]-1,3-thiazol-2-yl]-3-(phenylmethyl)thiourea

Systemtic Name: 1-[4-methyl-5-[[(phenylmethyl)carbamothioylamino]carbamoyl]-1,3-thiazol-2-yl]-3-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-[5-[(benzylcarbamothioylamino)carbamoyl]-4-methyl-thiazol-2-yl]thiourea CAS Name: 1-[4-methyl-5-[oxo-[[[(phenylmethyl)amino]-sulfanylidenemethyl]hydrazo]methyl]-2-thiazolyl]-3-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-[5-[(benzylcarbamothioylamino)carbamoyl]-4-methyl-1,3-thiazol-2-yl]thiourea Traditional Name: 1-benzyl-3-[5-[(benzylthiocarbamoylamino)carbamoyl]-4-methyl-thiazol-2-yl]thiourea Formula: C21H22N6OS3 MolecularWeight: 470.63398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=S)NCC2=CC=CC=C2)C(=O)NNC(=S)NCC3=CC=CC=C3

Isomeric SMILES

CC1=C(SC(=N1)NC(=S)NCC2=CC=CC=C2)C(=O)NNC(=S)NCC3=CC=CC=C3

InChI

InChI=1S/C21H22N6OS3/c1-14-17(18(28)26-27-20(30)23-13-16-10-6-3-7-11-16)31-21(24-14)25-19(29)22-12-15-8-4-2-5-9-15/h2-11H,12-13H2,1H3,(H,26,28)(H2,23,27,30)(H2,22,24,25,29)