1-(phenylmethyl)-3-[(3S)-1-[(phenylmethyl)carbamothioylamino]pentan-3-yl]thiourea

Systemtic Name: 1-(phenylmethyl)-3-[(3S)-1-[(phenylmethyl)carbamothioylamino]pentan-3-yl]thiourea Openeye Name: 1-benzyl-3-[(1S)-3-(benzylcarbamothioylamino)-1-ethyl-propyl]thiourea CAS Name: 1-(phenylmethyl)-3-[(3S)-1-[[[(phenylmethyl)amino]-sulfanylidenemethyl]amino]pentan-3-yl]thiourea IUPAC Name: 1-benzyl-3-[(3S)-1-(benzylcarbamothioylamino)pentan-3-yl]thiourea Traditional Name: 1-benzyl-3-[(1S)-3-(benzylthiocarbamoylamino)-1-ethyl-propyl]thiourea Formula: C21H28N4S2 MolecularWeight: 400.60382

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCNC(=S)NCC1=CC=CC=C1)NC(=S)NCC2=CC=CC=C2

Isomeric SMILES

CC[C@@H](CCNC(=S)NCC1=CC=CC=C1)NC(=S)NCC2=CC=CC=C2

InChI

InChI=1S/C21H28N4S2/c1-2-19(25-21(27)24-16-18-11-7-4-8-12-18)13-14-22-20(26)23-15-17-9-5-3-6-10-17/h3-12,19H,2,13-16H2,1H3,(H2,22,23,26)(H2,24,25,27)/t19-/m0/s1