1-[2-[bis(2-isothiocyanatoethyl)amino]ethyl]-3-(3,5-ditert-butylphenyl)thiourea

Systemtic Name: 1-[2-[bis(2-isothiocyanatoethyl)amino]ethyl]-3-(3,5-ditert-butylphenyl)thiourea Openeye Name: 1-[2-[bis(2-isothiocyanatoethyl)amino]ethyl]-3-(3,5-ditert-butylphenyl)thiourea CAS Name: 1-[2-[bis(2-isothiocyanatoethyl)amino]ethyl]-3-(3,5-ditert-butylphenyl)thiourea IUPAC Name: 1-[2-[bis(2-isothiocyanatoethyl)amino]ethyl]-3-(3,5-ditert-butylphenyl)thiourea Traditional Name: 1-[2-[bis(2-isothiocyanatoethyl)amino]ethyl]-3-(3,5-ditert-butylphenyl)thiourea Formula: C23H35N5S3 MolecularWeight: 477.7525

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1)NC(=S)NCCN(CCN=C=S)CCN=C=S)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1)NC(=S)NCCN(CCN=C=S)CCN=C=S)C(C)(C)C

InChI

InChI=1S/C23H35N5S3/c1-22(2,3)18-13-19(23(4,5)6)15-20(14-18)27-21(31)26-9-12-28(10-7-24-16-29)11-8-25-17-30/h13-15H,7-12H2,1-6H3,(H2,26,27,31)