1-[2-chloranyl-4-[[3-chloranyl-4-(propylcarbamothioylamino)phenyl]methyl]phenyl]-3-propyl-thiourea

Systemtic Name: 1-[2-chloranyl-4-[[3-chloranyl-4-(propylcarbamothioylamino)phenyl]methyl]phenyl]-3-propyl-thiourea Openeye Name: 1-[2-chloro-4-[[3-chloro-4-(propylcarbamothioylamino)phenyl]methyl]phenyl]-3-propyl-thiourea CAS Name: 1-[2-chloro-4-[[3-chloro-4-[[propylamino(sulfanylidene)methyl]amino]phenyl]methyl]phenyl]-3-propylthiourea IUPAC Name: 1-[2-chloro-4-[[3-chloro-4-(propylcarbamothioylamino)phenyl]methyl]phenyl]-3-propylthiourea Traditional Name: 1-[2-chloro-4-[3-chloro-4-(propylthiocarbamoylamino)benzyl]phenyl]-3-propyl-thiourea Formula: C21H26Cl2N4S2 MolecularWeight: 469.49394

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=S)NC1=C(C=C(C=C1)CC2=CC(=C(C=C2)NC(=S)NCCC)Cl)Cl

Isomeric SMILES

CCCNC(=S)NC1=C(C=C(C=C1)CC2=CC(=C(C=C2)NC(=S)NCCC)Cl)Cl

InChI

InChI=1S/C21H26Cl2N4S2/c1-3-9-24-20(28)26-18-7-5-14(12-16(18)22)11-15-6-8-19(17(23)13-15)27-21(29)25-10-4-2/h5-8,12-13H,3-4,9-11H2,1-2H3,(H2,24,26,28)(H2,25,27,29)