1-[2-chloranyl-4-(2-dimethylaminoethylcarbamothioylamino)phenyl]-3-(2-dimethylaminoethyl)thiourea

Systemtic Name: 1-[2-chloranyl-4-(2-dimethylaminoethylcarbamothioylamino)phenyl]-3-(2-dimethylaminoethyl)thiourea Openeye Name: 1-[2-chloro-4-(2-dimethylaminoethylcarbamothioylamino)phenyl]-3-(2-dimethylaminoethyl)thiourea CAS Name: 1-[2-chloro-4-[[(2-dimethylaminoethylamino)-sulfanylidenemethyl]amino]phenyl]-3-(2-dimethylaminoethyl)thiourea IUPAC Name: 1-[2-chloro-4-(2-dimethylaminoethylcarbamothioylamino)phenyl]-3-(2-dimethylaminoethyl)thiourea Traditional Name: 1-[2-chloro-4-(2-dimethylaminoethylthiocarbamoylamino)phenyl]-3-(2-dimethylaminoethyl)thiourea Formula: C16H27ClN6S2 MolecularWeight: 403.00878

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCNC(=S)NC1=CC(=C(C=C1)NC(=S)NCCN(C)C)Cl

Isomeric SMILES

CN(C)CCNC(=S)NC1=CC(=C(C=C1)NC(=S)NCCN(C)C)Cl

InChI

InChI=1S/C16H27ClN6S2/c1-22(2)9-7-18-15(24)20-12-5-6-14(13(17)11-12)21-16(25)19-8-10-23(3)4/h5-6,11H,7-10H2,1-4H3,(H2,18,20,24)(H2,19,21,25)