1-butyl-3-[4-[(phenylcarbamothioylamino)carbamoyl]-1,3-thiazol-2-yl]thiourea

Systemtic Name: 1-butyl-3-[4-[(phenylcarbamothioylamino)carbamoyl]-1,3-thiazol-2-yl]thiourea Openeye Name: 1-butyl-3-[4-[(phenylcarbamothioylamino)carbamoyl]thiazol-2-yl]thiourea CAS Name: 1-[4-[[[anilino(sulfanylidene)methyl]hydrazo]-oxomethyl]-2-thiazolyl]-3-butylthiourea IUPAC Name: 1-butyl-3-[4-[(phenylcarbamothioylamino)carbamoyl]-1,3-thiazol-2-yl]thiourea Traditional Name: 1-butyl-3-[4-[(phenylthiocarbamoylamino)carbamoyl]thiazol-2-yl]thiourea Formula: C16H20N6OS3 MolecularWeight: 408.5646

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)NC1=NC(=CS1)C(=O)NNC(=S)NC2=CC=CC=C2

Isomeric SMILES

CCCCNC(=S)NC1=NC(=CS1)C(=O)NNC(=S)NC2=CC=CC=C2

InChI

InChI=1S/C16H20N6OS3/c1-2-3-9-17-14(24)20-16-19-12(10-26-16)13(23)21-22-15(25)18-11-7-5-4-6-8-11/h4-8,10H,2-3,9H2,1H3,(H,21,23)(H2,18,22,25)(H2,17,19,20,24)