1-(3-isothiocyanatophenyl)-3-[4-[(3-isothiocyanatophenyl)carbamothioylamino]butyl]thiourea

Systemtic Name: 1-(3-isothiocyanatophenyl)-3-[4-[(3-isothiocyanatophenyl)carbamothioylamino]butyl]thiourea Openeye Name: 1-(3-isothiocyanatophenyl)-3-[4-[(3-isothiocyanatophenyl)carbamothioylamino]butyl]thiourea CAS Name: 1-[4-[[(3-isothiocyanatoanilino)-sulfanylidenemethyl]amino]butyl]-3-(3-isothiocyanatophenyl)thiourea IUPAC Name: 1-(3-isothiocyanatophenyl)-3-[4-[(3-isothiocyanatophenyl)carbamothioylamino]butyl]thiourea Traditional Name: 1-(3-isothiocyanatophenyl)-3-[4-[(3-isothiocyanatophenyl)thiocarbamoylamino]butyl]thiourea Formula: C20H20N6S4 MolecularWeight: 472.673

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=S)NCCCCNC(=S)NC2=CC=CC(=C2)N=C=S)N=C=S

Isomeric SMILES

C1=CC(=CC(=C1)NC(=S)NCCCCNC(=S)NC2=CC=CC(=C2)N=C=S)N=C=S

InChI

InChI=1S/C20H20N6S4/c27-13-23-15-5-3-7-17(11-15)25-19(29)21-9-1-2-10-22-20(30)26-18-8-4-6-16(12-18)24-14-28/h3-8,11-12H,1-2,9-10H2,(H2,21,25,29)(H2,22,26,30)