1-(4-chlorophenyl)-1-(4,5,6,7-tetrahydro-1H-1,3-diazepin-2-ylamino)thiourea

Systemtic Name: 1-(4-chlorophenyl)-1-(4,5,6,7-tetrahydro-1H-1,3-diazepin-2-ylamino)thiourea Openeye Name: 1-(4-chlorophenyl)-1-(4,5,6,7-tetrahydro-1H-1,3-diazepin-2-ylamino)thiourea CAS Name: 1-(4-chlorophenyl)-1-(4,5,6,7-tetrahydro-1H-1,3-diazepin-2-ylamino)thiourea IUPAC Name: 1-(4-chlorophenyl)-1-(4,5,6,7-tetrahydro-1H-1,3-diazepin-2-ylamino)thiourea Traditional Name: 1-(4-chlorophenyl)-1-(4,5,6,7-tetrahydro-1H-1,3-diazepin-2-ylamino)thiourea Formula: C12H16ClN5S MolecularWeight: 297.80694

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN=C(NC1)NN(C2=CC=C(C=C2)Cl)C(=S)N

Isomeric SMILES

C1CCN=C(NC1)NN(C2=CC=C(C=C2)Cl)C(=S)N

InChI

InChI=1S/C12H16ClN5S/c13-9-3-5-10(6-4-9)18(11(14)19)17-12-15-7-1-2-8-16-12/h3-6H,1-2,7-8H2,(H2,14,19)(H2,15,16,17)