1-(3,5-diisothiocyanatophenyl)-3-(2-dimethylaminoethyl)thiourea

Systemtic Name: 1-(3,5-diisothiocyanatophenyl)-3-(2-dimethylaminoethyl)thiourea Openeye Name: 1-(3,5-diisothiocyanatophenyl)-3-(2-dimethylaminoethyl)thiourea CAS Name: 1-(3,5-diisothiocyanatophenyl)-3-(2-dimethylaminoethyl)thiourea IUPAC Name: 1-(3,5-diisothiocyanatophenyl)-3-(2-dimethylaminoethyl)thiourea Traditional Name: 1-(3,5-diisothiocyanatophenyl)-3-(2-dimethylaminoethyl)thiourea Formula: C13H15N5S3 MolecularWeight: 337.4867

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCNC(=S)NC1=CC(=CC(=C1)N=C=S)N=C=S

Isomeric SMILES

CN(C)CCNC(=S)NC1=CC(=CC(=C1)N=C=S)N=C=S

InChI

InChI=1S/C13H15N5S3/c1-18(2)4-3-14-13(21)17-12-6-10(15-8-19)5-11(7-12)16-9-20/h5-7H,3-4H2,1-2H3,(H2,14,17,21)